(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine profile

The compound you mentioned, **(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine**, is a **potent and selective inhibitor of the enzyme Bruton's tyrosine kinase (BTK)**.

Here's a breakdown of its significance:

* **BTK** is a key enzyme involved in the signaling pathways of B cells, which are important components of the immune system.
* **BTK inhibitors** have shown promise in treating various hematological malignancies, including **chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), Waldenström macroglobulinemia (WM), and acute lymphoblastic leukemia (ALL)**.
* **(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine** exhibits **high potency and selectivity for BTK** compared to other kinases, which is important for minimizing off-target effects and maximizing therapeutic efficacy.
* **Research on this compound** focuses on understanding its **pharmacological properties, potential therapeutic applications, and mechanism of action**, ultimately aiming to develop **safe and effective drugs for treating B-cell malignancies**.

**In summary:**

**(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine** is a potent and selective BTK inhibitor with significant potential for treating B-cell malignancies. Its unique chemical structure and biological activity make it an important target for ongoing research efforts in the field of cancer therapeutics.

(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	127943
CHEMBL ID	555572
SCHEMBL ID	8529468
MeSH ID	M0256517

Synonym
gr-203040
3-piperidinamine, n-((2-methoxy-5-(1h-tetrazol-1-yl)phenyl)methyl)-2-phenyl-, dihydrochloride, (2s-cis)-
gr203040
(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
gr 203040
n-(2-methoxy-5-tetrazol-1-ylbenzyl)-2-phenylpiperidin-3-ylamine
CHEMBL555572
168398-02-5
UYDCUPIPQXAELR-OINVMNEBSA-N
(2-methoxy-5-tetrazol-1-yl-benzyl)-(cis-2-phenyl-piperidin-3yl)-amine dihydrochloride
(2-methoxy-5-tetrazol-1-yl-benzyl)-(cis-2-phenyl-piperidin-3-yl)-amine dihydrochloride
SCHEMBL8529468
AKOS030566080
gr-203040 hcl
168398-02-5 (hcl)
(2s,3s)-n-[[2-methoxy-5-(1h-tetrazol-1-yl)phenyl]methyl]-2-phenyl-3-piperidinamine dihydrochloride
DTXSID60937484
n-{[2-methoxy-5-(1h-tetrazol-1-yl)phenyl]methyl}-2-phenylpiperidin-3-amine--hydrogen chloride (1/2)
(2s,3s)-n-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
gr-203040 hydrochloride
BG166435

Excerpt	Reference	Relevance
" Tetrazole 19 inhibits radiation-induced emesis in the ferret with high potency when administered both subcutaneously and orally, has a long duration of action, and has high oral bioavailability in the dog."	( Discovery of an orally bioavailable NK1 receptor antagonist, (2S,3S)-(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine (GR203040), with potent antiemetic activity. Armour, DR; Bays, DE; Evans, B; Giblin, GM; Heron, N; Hubbard, T; Liang, K; Middlemiss, D; Mordaunt, J; Ward, P, 1995)	0.53

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Substance-P receptor	Homo sapiens (human)	IC50 (µMol)	0.0000	0.0000	0.0952	6.8130	AID779964
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
aggressive behavior	Substance-P receptor	Homo sapiens (human)
positive regulation of leukocyte migration	Substance-P receptor	Homo sapiens (human)
angiotensin-mediated drinking behavior	Substance-P receptor	Homo sapiens (human)
inflammatory response	Substance-P receptor	Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathway	Substance-P receptor	Homo sapiens (human)
positive regulation of cytosolic calcium ion concentration	Substance-P receptor	Homo sapiens (human)
tachykinin receptor signaling pathway	Substance-P receptor	Homo sapiens (human)
long-term memory	Substance-P receptor	Homo sapiens (human)
associative learning	Substance-P receptor	Homo sapiens (human)
detection of abiotic stimulus	Substance-P receptor	Homo sapiens (human)
response to ozone	Substance-P receptor	Homo sapiens (human)
positive regulation of epithelial cell migration	Substance-P receptor	Homo sapiens (human)
response to auditory stimulus	Substance-P receptor	Homo sapiens (human)
regulation of smooth muscle cell migration	Substance-P receptor	Homo sapiens (human)
positive regulation of synaptic transmission, cholinergic	Substance-P receptor	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Substance-P receptor	Homo sapiens (human)
response to estradiol	Substance-P receptor	Homo sapiens (human)
response to progesterone	Substance-P receptor	Homo sapiens (human)
response to nicotine	Substance-P receptor	Homo sapiens (human)
operant conditioning	Substance-P receptor	Homo sapiens (human)
sperm ejaculation	Substance-P receptor	Homo sapiens (human)
eating behavior	Substance-P receptor	Homo sapiens (human)
positive regulation of vascular permeability	Substance-P receptor	Homo sapiens (human)
response to ethanol	Substance-P receptor	Homo sapiens (human)
positive regulation of action potential	Substance-P receptor	Homo sapiens (human)
positive regulation of blood pressure	Substance-P receptor	Homo sapiens (human)
positive regulation of ossification	Substance-P receptor	Homo sapiens (human)
positive regulation of vasoconstriction	Substance-P receptor	Homo sapiens (human)
positive regulation of hormone secretion	Substance-P receptor	Homo sapiens (human)
behavioral response to pain	Substance-P receptor	Homo sapiens (human)
regulation of smooth muscle cell proliferation	Substance-P receptor	Homo sapiens (human)
positive regulation of lymphocyte proliferation	Substance-P receptor	Homo sapiens (human)
positive regulation of epithelial cell proliferation	Substance-P receptor	Homo sapiens (human)
positive regulation of stress fiber assembly	Substance-P receptor	Homo sapiens (human)
response to electrical stimulus	Substance-P receptor	Homo sapiens (human)
smooth muscle contraction involved in micturition	Substance-P receptor	Homo sapiens (human)
positive regulation of uterine smooth muscle contraction	Substance-P receptor	Homo sapiens (human)
positive regulation of flagellated sperm motility	Substance-P receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
tachykinin receptor activity	Substance-P receptor	Homo sapiens (human)
protein binding	Substance-P receptor	Homo sapiens (human)
substance P receptor activity	Substance-P receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Substance-P receptor	Homo sapiens (human)
cell surface	Substance-P receptor	Homo sapiens (human)
dendrite	Substance-P receptor	Homo sapiens (human)
sperm flagellum	Substance-P receptor	Homo sapiens (human)
cell body	Substance-P receptor	Homo sapiens (human)
sperm head	Substance-P receptor	Homo sapiens (human)
sperm midpiece	Substance-P receptor	Homo sapiens (human)
plasma membrane	Substance-P receptor	Homo sapiens (human)
sperm midpiece	Substance-P receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID779964	Antagonist activity at NK1 receptor (unknown origin)	2013	Bioorganic & medicinal chemistry, Nov-01, Volume: 21, Issue:21	Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	6 (66.67)	18.2507
2000's	2 (22.22)	29.6817
2010's	1 (11.11)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	9 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	2.02	1	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	2.02	1	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
fentanyl Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.	2.02	1	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
substance p [no description available]	1.98	1	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
cp 96345 CP 96345: structure given in first source; potent nonpeptide antagonist of the substance P (NK1) receptor; CP 96344 is enantiomer of CP 96345	2.45	2
substance p, methyl ester- substance P, methyl ester-: COOH-terminal amide of substance P replaced with methyl ester	1.98	1
l 733060 3-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine: RN given refers to (2S-cis)-isomer; L-733,061 is pharmacologically inactive; structure in first source	2.08	1	piperidines
u-50488 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21). U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine	2.02	1	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	2.02	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
cp 99994 3-(2-methoxybenzylamino)-2-phenylpiperidine: selective NK(1) receptor antagonist; CP-100263 is the inactive enantiomer	1.99	1
netupitant netupitant: orally active neurokinin-1 receptor antagonist. netupitant : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid with the secondary amino group of N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine; an antiemetic used in combination with palonosetron hydrochloride (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.	2.08	1	aminopyridine; monocarboxylic acid amide; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; toluenes	antiemetic; neurokinin-1 receptor antagonist
vofopitant [no description available]	2.4	2
vestipitant [no description available]	2.08	1
orvepitant [no description available]	2.08	1
casopitant [no description available]	2.08	1	piperidines
piperidines Piperidines: A family of hexahydropyridines.	3.5	8
aprepitant Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.	2.08	1	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist

Condition	Relationship Strength	Studies
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	2.02	1
Emesis [description not available]	2.39	2
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	2.39	2
Air Sickness [description not available]	1.98	1
Experimental Radiation Injuries [description not available]	1.98	1
Motion Sickness Disorder caused by motion. It includes sea sickness, train sickness, roller coaster rides, rocking chair, hammock swing, car sickness, air sickness, or SPACE MOTION SICKNESS. Symptoms include nausea, vomiting and/or dizziness.	1.98	1

(2-methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine

Description

Cross-References

Synonyms (21)

Research Excerpts

Bioavailability

Protein Targets (1)

Inhibition Measurements

Biological Processes (38)

Molecular Functions (3)

Ceullar Components (7)

Bioassays (1)

Research

Studies (9)

Market Indicators

Research Demand Index: 12.05

Study Types