Page last updated: 2024-12-11

(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine

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Description

You're describing a molecule with a very specific chemical structure and it seems to be a potential candidate for a drug or other research material.

Here's a breakdown of the compound's features and its potential significance:

**Chemical Structure:**

* **(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine**
* **Piperidine Core:** The backbone of the molecule is a piperidine ring. This is a six-membered ring with a nitrogen atom.
* **2-Phenyl:** A phenyl group (a benzene ring) is attached to the second carbon of the piperidine ring.
* **3-((5-trifluoromethoxy-2-methoxy)benzylamino):**
* A benzyl group (a benzene ring with a CH2 group) is attached to the third carbon of the piperidine ring.
* The benzyl group has a 5-trifluoromethoxy and a 2-methoxy substituent.
* **(2s,3s):** This indicates the stereochemistry at the second and third carbons of the piperidine ring. This is important because it means that the molecule has a specific spatial arrangement of its atoms.

**Potential Importance in Research:**

This compound's structure suggests that it might be a **potential drug candidate or research tool** for several reasons:

* **Piperidine Derivatives:** Piperidine derivatives are often found in drugs with various therapeutic effects. They can interact with receptors and enzymes in the body.
* **Aromatic Substituents:** The phenyl, benzyl, trifluoromethoxy, and methoxy groups are aromatic substituents. These can influence a molecule's ability to interact with biological targets.
* **Stereochemistry:** The specific stereochemistry (2s,3s) can affect a molecule's activity and how it interacts with the body.

**Possible Research Applications:**

Depending on its pharmacological properties, the compound might be studied for:

* **CNS Activity:** Piperidine derivatives often show activity in the central nervous system (CNS), potentially leading to drugs for conditions like anxiety, depression, or pain.
* **Anti-Inflammatory Effects:** Some aromatic compounds have anti-inflammatory properties.
* **Anti-Cancer Activity:** Certain structural features can be associated with anti-cancer activity.
* **Other Therapeutic Effects:** The compound's structure may be explored for other therapeutic areas depending on its specific interactions with biological systems.

**Important Notes:**

* **Limited Information:** Without further information, it's impossible to state definitively the exact research significance of this compound.
* **Preclinical Research:** It's likely this compound is currently in the preclinical research phase, where its pharmacological properties are being investigated.
* **Further Studies:** Extensive studies are needed to determine the compound's safety, efficacy, and potential therapeutic applications.

If you have more information about the specific context of this compound, such as its source or intended use, we might be able to provide a more detailed analysis.

(2S,3S)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID9821217
CHEMBL ID319118
SCHEMBL ID156646
MeSH IDM0260931

Synonyms (31)

Synonym
cp-122721
CHEMBL319118 ,
3-piperidinamine, n-((2-methoxy-5-(trifluoromethoxy)phenyl)methyl)-2-phenyl-, (2s,3s)-
cp-122,721
cp 122721
cp 122,721
3-piperidinamine, n-((2-methoxy-5-(trifluoromethoxy)phenyl)methyl)-2-phenyl-, (2s-cis)-
bdbm50067935
(2s,3s)-n-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine
(2-methoxy-5-trifluoromethoxy-benzyl)-((2s,3s)-2-phenyl-piperidin-3-yl)-amine
NCGC00247927-01
r7oyp6n58f ,
145742-28-5
unii-r7oyp6n58f
(+)-(2s,3s)-3-(2-methoxy-5-trifluoromethoxybenzyl)amino-2-phenylpiperidine
3-(2-methoxy-5-trifluoromethoxybenzyl)amino-2-piperidine
(2s,3s)-2-phenyl-3-((5-trifluoromethoxy-2-methoxy)benzylamino)piperidine
NCGC00254228-01
dtxcid7027251
tox21_300205
dtxsid9047251 ,
cas-145742-28-5
(+)-cp-122,721
SCHEMBL156646
AKOS030542331
DB05421
ziwfcoigunphpm-hkuynngssa-n ,
(2s,3s)-n-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
Q27287911
(2s-cis)-n-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-3-piperidinamine
3-piperidinamine, n-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2s,3s)-
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (33)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
RAR-related orphan receptor gammaMus musculus (house mouse)Potency29.35640.006038.004119,952.5996AID1159521; AID1159523
SMAD family member 2Homo sapiens (human)Potency48.96620.173734.304761.8120AID1346859
SMAD family member 3Homo sapiens (human)Potency48.96620.173734.304761.8120AID1346859
GLI family zinc finger 3Homo sapiens (human)Potency10.87070.000714.592883.7951AID1259369; AID1259392
AR proteinHomo sapiens (human)Potency48.49290.000221.22318,912.5098AID1259243; AID1259247; AID743035; AID743042; AID743054; AID743063
caspase 7, apoptosis-related cysteine proteaseHomo sapiens (human)Potency68.58960.013326.981070.7614AID1346978
estrogen receptor 2 (ER beta)Homo sapiens (human)Potency68.58960.000657.913322,387.1992AID1259377; AID1259378
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency61.97470.001022.650876.6163AID1224838; AID1224839; AID1224893
progesterone receptorHomo sapiens (human)Potency1.36850.000417.946075.1148AID1346795
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency1.94940.000214.376460.0339AID720692
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency38.70170.003041.611522,387.1992AID1159552; AID1159553; AID1159555
retinoid X nuclear receptor alphaHomo sapiens (human)Potency44.69160.000817.505159.3239AID1159527; AID1159531
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency61.13060.001530.607315,848.9004AID1224848; AID1224849; AID1259403
farnesoid X nuclear receptorHomo sapiens (human)Potency54.94100.375827.485161.6524AID743217
pregnane X nuclear receptorHomo sapiens (human)Potency4.85580.005428.02631,258.9301AID1346982
estrogen nuclear receptor alphaHomo sapiens (human)Potency70.68190.000229.305416,493.5996AID1259244; AID1259248; AID743079; AID743091
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency36.15750.001024.504861.6448AID743212; AID743215
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency54.94100.023723.228263.5986AID743223
caspase-3Homo sapiens (human)Potency68.58960.013326.981070.7614AID1346978
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency61.13060.001723.839378.1014AID743083
thyroid stimulating hormone receptorHomo sapiens (human)Potency48.35980.001628.015177.1139AID1224843; AID1224895; AID1259385; AID1259395
activating transcription factor 6Homo sapiens (human)Potency0.01550.143427.612159.8106AID1159516
thyrotropin-releasing hormone receptorHomo sapiens (human)Potency34.67130.154917.870243.6557AID1346891
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency8.84500.057821.109761.2679AID1159526; AID1159528
Histone H2A.xCricetulus griseus (Chinese hamster)Potency115.21450.039147.5451146.8240AID1224845; AID1224896
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency22.53280.000323.4451159.6830AID743065; AID743066; AID743067
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency61.53610.000627.21521,122.0200AID743202; AID743219
Voltage-dependent calcium channel gamma-2 subunitMus musculus (house mouse)Potency68.58960.001557.789015,848.9004AID1259244
Glutamate receptor 2Rattus norvegicus (Norway rat)Potency68.58960.001551.739315,848.9004AID1259244
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Cytochrome P450 2D6Homo sapiens (human)Ki0.02000.00011.19868.0000AID366311
Substance-P receptorHomo sapiens (human)IC50 (µMol)0.00020.00000.09526.8130AID208265; AID208406; AID260127; AID366298
Potassium voltage-gated channel subfamily H member 2Homo sapiens (human)Ki1.80000.00211.840710.0000AID260128
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ATP-dependent translocase ABCB1Homo sapiens (human)Km34.40000.01403.717210.0000AID679470
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (92)

Processvia Protein(s)Taxonomy
G2/M transition of mitotic cell cycleATP-dependent translocase ABCB1Homo sapiens (human)
xenobiotic metabolic processATP-dependent translocase ABCB1Homo sapiens (human)
response to xenobiotic stimulusATP-dependent translocase ABCB1Homo sapiens (human)
phospholipid translocationATP-dependent translocase ABCB1Homo sapiens (human)
terpenoid transportATP-dependent translocase ABCB1Homo sapiens (human)
regulation of response to osmotic stressATP-dependent translocase ABCB1Homo sapiens (human)
transmembrane transportATP-dependent translocase ABCB1Homo sapiens (human)
transepithelial transportATP-dependent translocase ABCB1Homo sapiens (human)
stem cell proliferationATP-dependent translocase ABCB1Homo sapiens (human)
ceramide translocationATP-dependent translocase ABCB1Homo sapiens (human)
export across plasma membraneATP-dependent translocase ABCB1Homo sapiens (human)
transport across blood-brain barrierATP-dependent translocase ABCB1Homo sapiens (human)
positive regulation of anion channel activityATP-dependent translocase ABCB1Homo sapiens (human)
carboxylic acid transmembrane transportATP-dependent translocase ABCB1Homo sapiens (human)
xenobiotic detoxification by transmembrane export across the plasma membraneATP-dependent translocase ABCB1Homo sapiens (human)
xenobiotic transport across blood-brain barrierATP-dependent translocase ABCB1Homo sapiens (human)
regulation of chloride transportATP-dependent translocase ABCB1Homo sapiens (human)
xenobiotic metabolic processCytochrome P450 2D6Homo sapiens (human)
steroid metabolic processCytochrome P450 2D6Homo sapiens (human)
cholesterol metabolic processCytochrome P450 2D6Homo sapiens (human)
estrogen metabolic processCytochrome P450 2D6Homo sapiens (human)
coumarin metabolic processCytochrome P450 2D6Homo sapiens (human)
alkaloid metabolic processCytochrome P450 2D6Homo sapiens (human)
alkaloid catabolic processCytochrome P450 2D6Homo sapiens (human)
monoterpenoid metabolic processCytochrome P450 2D6Homo sapiens (human)
isoquinoline alkaloid metabolic processCytochrome P450 2D6Homo sapiens (human)
xenobiotic catabolic processCytochrome P450 2D6Homo sapiens (human)
retinol metabolic processCytochrome P450 2D6Homo sapiens (human)
long-chain fatty acid biosynthetic processCytochrome P450 2D6Homo sapiens (human)
negative regulation of bindingCytochrome P450 2D6Homo sapiens (human)
oxidative demethylationCytochrome P450 2D6Homo sapiens (human)
negative regulation of cellular organofluorine metabolic processCytochrome P450 2D6Homo sapiens (human)
arachidonic acid metabolic processCytochrome P450 2D6Homo sapiens (human)
aggressive behaviorSubstance-P receptorHomo sapiens (human)
positive regulation of leukocyte migrationSubstance-P receptorHomo sapiens (human)
angiotensin-mediated drinking behaviorSubstance-P receptorHomo sapiens (human)
inflammatory responseSubstance-P receptorHomo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwaySubstance-P receptorHomo sapiens (human)
positive regulation of cytosolic calcium ion concentrationSubstance-P receptorHomo sapiens (human)
tachykinin receptor signaling pathwaySubstance-P receptorHomo sapiens (human)
long-term memorySubstance-P receptorHomo sapiens (human)
associative learningSubstance-P receptorHomo sapiens (human)
detection of abiotic stimulusSubstance-P receptorHomo sapiens (human)
response to ozoneSubstance-P receptorHomo sapiens (human)
positive regulation of epithelial cell migrationSubstance-P receptorHomo sapiens (human)
response to auditory stimulusSubstance-P receptorHomo sapiens (human)
regulation of smooth muscle cell migrationSubstance-P receptorHomo sapiens (human)
positive regulation of synaptic transmission, cholinergicSubstance-P receptorHomo sapiens (human)
positive regulation of synaptic transmission, GABAergicSubstance-P receptorHomo sapiens (human)
response to estradiolSubstance-P receptorHomo sapiens (human)
response to progesteroneSubstance-P receptorHomo sapiens (human)
response to nicotineSubstance-P receptorHomo sapiens (human)
operant conditioningSubstance-P receptorHomo sapiens (human)
sperm ejaculationSubstance-P receptorHomo sapiens (human)
eating behaviorSubstance-P receptorHomo sapiens (human)
positive regulation of vascular permeabilitySubstance-P receptorHomo sapiens (human)
response to ethanolSubstance-P receptorHomo sapiens (human)
positive regulation of action potentialSubstance-P receptorHomo sapiens (human)
positive regulation of blood pressureSubstance-P receptorHomo sapiens (human)
positive regulation of ossificationSubstance-P receptorHomo sapiens (human)
positive regulation of vasoconstrictionSubstance-P receptorHomo sapiens (human)
positive regulation of hormone secretionSubstance-P receptorHomo sapiens (human)
behavioral response to painSubstance-P receptorHomo sapiens (human)
regulation of smooth muscle cell proliferationSubstance-P receptorHomo sapiens (human)
positive regulation of lymphocyte proliferationSubstance-P receptorHomo sapiens (human)
positive regulation of epithelial cell proliferationSubstance-P receptorHomo sapiens (human)
positive regulation of stress fiber assemblySubstance-P receptorHomo sapiens (human)
response to electrical stimulusSubstance-P receptorHomo sapiens (human)
smooth muscle contraction involved in micturitionSubstance-P receptorHomo sapiens (human)
positive regulation of uterine smooth muscle contractionSubstance-P receptorHomo sapiens (human)
positive regulation of flagellated sperm motilitySubstance-P receptorHomo sapiens (human)
regulation of heart rate by cardiac conductionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of heart rate by hormonePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of membrane potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion homeostasisPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cardiac muscle contractionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of ventricular cardiac muscle cell membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cellular response to xenobiotic stimulusPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
ventricular cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane depolarization during action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of heart rate by cardiac conductionPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion export across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
membrane repolarization during ventricular cardiac muscle cell action potentialPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
negative regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
positive regulation of potassium ion transmembrane transportPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
negative regulation of potassium ion export across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
potassium ion import across plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (34)

Processvia Protein(s)Taxonomy
protein bindingATP-dependent translocase ABCB1Homo sapiens (human)
ATP bindingATP-dependent translocase ABCB1Homo sapiens (human)
ABC-type xenobiotic transporter activityATP-dependent translocase ABCB1Homo sapiens (human)
efflux transmembrane transporter activityATP-dependent translocase ABCB1Homo sapiens (human)
ATP hydrolysis activityATP-dependent translocase ABCB1Homo sapiens (human)
transmembrane transporter activityATP-dependent translocase ABCB1Homo sapiens (human)
ubiquitin protein ligase bindingATP-dependent translocase ABCB1Homo sapiens (human)
ATPase-coupled transmembrane transporter activityATP-dependent translocase ABCB1Homo sapiens (human)
xenobiotic transmembrane transporter activityATP-dependent translocase ABCB1Homo sapiens (human)
carboxylic acid transmembrane transporter activityATP-dependent translocase ABCB1Homo sapiens (human)
phosphatidylcholine floppase activityATP-dependent translocase ABCB1Homo sapiens (human)
phosphatidylethanolamine flippase activityATP-dependent translocase ABCB1Homo sapiens (human)
ceramide floppase activityATP-dependent translocase ABCB1Homo sapiens (human)
floppase activityATP-dependent translocase ABCB1Homo sapiens (human)
monooxygenase activityCytochrome P450 2D6Homo sapiens (human)
iron ion bindingCytochrome P450 2D6Homo sapiens (human)
oxidoreductase activityCytochrome P450 2D6Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygenCytochrome P450 2D6Homo sapiens (human)
heme bindingCytochrome P450 2D6Homo sapiens (human)
anandamide 8,9 epoxidase activityCytochrome P450 2D6Homo sapiens (human)
anandamide 11,12 epoxidase activityCytochrome P450 2D6Homo sapiens (human)
anandamide 14,15 epoxidase activityCytochrome P450 2D6Homo sapiens (human)
tachykinin receptor activitySubstance-P receptorHomo sapiens (human)
protein bindingSubstance-P receptorHomo sapiens (human)
substance P receptor activitySubstance-P receptorHomo sapiens (human)
transcription cis-regulatory region bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
inward rectifier potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
delayed rectifier potassium channel activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
ubiquitin protein ligase bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
identical protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
protein homodimerization activityPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
C3HC4-type RING finger domain bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activity involved in cardiac muscle cell action potential repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
scaffold protein bindingPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarizationPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (19)

Processvia Protein(s)Taxonomy
cytoplasmATP-dependent translocase ABCB1Homo sapiens (human)
plasma membraneATP-dependent translocase ABCB1Homo sapiens (human)
cell surfaceATP-dependent translocase ABCB1Homo sapiens (human)
membraneATP-dependent translocase ABCB1Homo sapiens (human)
apical plasma membraneATP-dependent translocase ABCB1Homo sapiens (human)
extracellular exosomeATP-dependent translocase ABCB1Homo sapiens (human)
external side of apical plasma membraneATP-dependent translocase ABCB1Homo sapiens (human)
plasma membraneATP-dependent translocase ABCB1Homo sapiens (human)
mitochondrionCytochrome P450 2D6Homo sapiens (human)
endoplasmic reticulumCytochrome P450 2D6Homo sapiens (human)
endoplasmic reticulum membraneCytochrome P450 2D6Homo sapiens (human)
cytoplasmCytochrome P450 2D6Homo sapiens (human)
intracellular membrane-bounded organelleCytochrome P450 2D6Homo sapiens (human)
plasma membraneGlutamate receptor 2Rattus norvegicus (Norway rat)
plasma membraneSubstance-P receptorHomo sapiens (human)
cell surfaceSubstance-P receptorHomo sapiens (human)
dendriteSubstance-P receptorHomo sapiens (human)
sperm flagellumSubstance-P receptorHomo sapiens (human)
cell bodySubstance-P receptorHomo sapiens (human)
sperm headSubstance-P receptorHomo sapiens (human)
sperm midpieceSubstance-P receptorHomo sapiens (human)
plasma membraneSubstance-P receptorHomo sapiens (human)
sperm midpieceSubstance-P receptorHomo sapiens (human)
plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
cell surfacePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
perinuclear region of cytoplasmPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
voltage-gated potassium channel complexPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
inward rectifier potassium channel complexPotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
plasma membranePotassium voltage-gated channel subfamily H member 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (22)

Assay IDTitleYearJournalArticle
AID75084Inhibition of GR 73632-induced foot tapping in gerbils upon intravenous administration of compound after 4 hr1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID260127Displacement of [125I]-labeled substance P from cloned human NK1 receptor expressed in CHO cells2006Bioorganic & medicinal chemistry letters, Feb-15, Volume: 16, Issue:4
Synthesis and structure-activity relationships of 8-azabicyclo[3.2.1]octane benzylamine NK1 antagonists.
AID366311Binding affinity to human CYP2D6 using bufuralol as substrate2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
AID208406Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID366305Antiemetic activity against cisplatin-induced emesis in sc dosed ferrets2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
AID679470TP_TRANSPORTER: ATP hydrolysis in membranes from P-gp expressing insect cells2001The Journal of pharmacology and experimental therapeutics, Sep, Volume: 298, Issue:3
P-glycoprotein efflux at the blood-brain barrier mediates differences in brain disposition and pharmacodynamics between two structurally related neurokinin-1 receptor antagonists.
AID678773TP_TRANSPORTER: increase in brain concentration in mdr1a/1b(-/-) mouse2001The Journal of pharmacology and experimental therapeutics, Sep, Volume: 298, Issue:3
P-glycoprotein efflux at the blood-brain barrier mediates differences in brain disposition and pharmacodynamics between two structurally related neurokinin-1 receptor antagonists.
AID366302Inhibition of spiperone-induced foot tapping in sc dosed gerbil2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
AID77134Inhibition of resiniferatoxin-induced systemic vascular leakage in guinea pig (SYVAL) upon oral administration at 24 hr r1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID76672Inhibition of aerosolized capsaicin-induced plasma protein extravasation in guinea pig lung by peroral dose1998Bioorganic & medicinal chemistry letters, Feb-03, Volume: 8, Issue:3
Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.
AID366298Displacement of [3H]spiperone from NK1 receptor in human IM9 cells2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
AID366301Inhibition of human CYP2D6 at 5 uM2008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
AID75082Inhibition of GR 73632-induced foot tapping in gerbils upon intravenous administration of compound1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID76671Compound tested for SP-induced plasma extravasation in guinea pig perorally1998Bioorganic & medicinal chemistry letters, Feb-03, Volume: 8, Issue:3
Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.
AID76674Inhibition of capsaicin-induced plasma extravasation in guinea pig ureter by peroral dose1998Bioorganic & medicinal chemistry letters, Feb-03, Volume: 8, Issue:3
Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.
AID260128Displacement of [35S]-labeled MK499 from cloned hERG potassium channel expressed in HEK cells2006Bioorganic & medicinal chemistry letters, Feb-15, Volume: 16, Issue:4
Synthesis and structure-activity relationships of 8-azabicyclo[3.2.1]octane benzylamine NK1 antagonists.
AID76675Compound tested for blockade of cisplatin-induced emesis in guinea pig perorally1998Bioorganic & medicinal chemistry letters, Feb-03, Volume: 8, Issue:3
Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.
AID208265Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells1998Bioorganic & medicinal chemistry letters, Feb-03, Volume: 8, Issue:3
Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.
AID76695Compound was tested for blockade of locomotor activity in guinea pig, elicited by icv administered Sar9Met(O2)-SP1998Bioorganic & medicinal chemistry letters, Feb-03, Volume: 8, Issue:3
Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.
AID75083Inhibition of GR 73632-induced foot tapping in gerbils upon intravenous administration of compound after 24 hr1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
AID366309Metabolic stability in human liver microsome assessed as ratio of half life between CYP2D6-deficient microsome and CYP2D6-deficient microsome with addition of exogenous CYP2D62008Bioorganic & medicinal chemistry, Aug-01, Volume: 16, Issue:15
Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
AID76983Inhibition of resiniferatoxin-induced systemic vascular leakage in guinea pig (SYVAL) upon oral administration at 1 hr1998Journal of medicinal chemistry, Nov-05, Volume: 41, Issue:23
Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (27)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's9 (33.33)18.2507
2000's16 (59.26)29.6817
2010's2 (7.41)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 10.85

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index10.85 (24.57)
Research Supply Index3.47 (2.92)
Research Growth Index4.32 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (10.85)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials3 (10.71%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other25 (89.29%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]