The compound **[2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone** is a synthetic compound that appears to be a **novel derivative of a known class of drugs** that are used in research to study certain biological processes.
Here's a breakdown of the compound and its potential importance in research:
**Structure and Properties:**
* **2-methoxy-4-(methylthio)phenyl:** This part of the molecule is a substituted benzene ring. It contains a methoxy group (OCH3) at the 2-position and a methylthio group (SCH3) at the 4-position.
* **[4-(phenylmethyl)-1-piperidinyl]methanone:** This part represents a piperidine ring (a six-membered ring with a nitrogen atom) with a phenylmethyl (benzyl) group attached at the 4-position. It also contains a carbonyl group (C=O) attached to the nitrogen atom.
**Potential Research Significance:**
The compound seems to be closely related to **drugs that are known to interact with certain receptors and enzymes**, specifically those involved in:
* **Neurotransmission:** Some derivatives of this compound might exhibit activity at **neurotransmitter receptors**, like dopamine receptors, which are crucial for various functions including mood, motivation, and movement.
* **Inflammation:** It's possible that the compound might influence the activity of enzymes involved in **inflammatory pathways**.
* **Other Biological Targets:** The compound's structure suggests potential interaction with other biological targets, leading to diverse biological effects.
**Note:** The exact biological activity and potential applications of [2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone are likely still under investigation. It's important to understand that:
* **Research is ongoing:** Further studies are needed to determine the compound's exact properties and potential therapeutic uses.
* **Safety is crucial:** The safety and efficacy of this compound need to be carefully evaluated before any potential clinical applications.
**Key Takeaways:**
* This compound is a novel derivative of a known class of drugs with potential biological activity.
* Its structural features suggest potential interaction with neurotransmitter receptors and enzymes involved in inflammation.
* Research is ongoing to determine its exact properties and potential therapeutic uses.
**Please note:** I am an AI and cannot provide medical or research advice. If you are looking for specific information about this compound, it's important to consult scientific literature and experts in the field.
ID Source | ID |
---|---|
PubMed CID | 1126109 |
CHEMBL ID | 1450144 |
CHEBI ID | 92098 |
SCHEMBL ID | 159145 |
Synonym |
---|
HMS3269J21 |
BRD-K05464208-001-01-6 |
OPREA1_085278 |
OPREA1_772012 |
NCGC00167816-01 |
STK217901 |
(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone |
NCGC00167816-02 |
HMS3229J09 |
AKOS000646768 |
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone |
HMS3261N05 |
jx-401 |
jx401 |
349087-34-9 |
LP00542 |
CCG-221846 |
SCHEMBL159145 |
TBU7UTV30Q , |
piperidine, 1-(2-methoxy-4-(methylthio)benzoyl)-4-(phenylmethyl)- |
methanone, (2-methoxy-4-(methylthio)phenyl)(4-(phenylmethyl)-1-piperidinyl)- |
unii-tbu7utv30q |
tox21_500542 |
NCGC00261227-01 |
CHEMBL1450144 |
1-[2-methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)piperidine |
jx 401 |
c21h25no2s |
HB1298 |
4-benzyl-1-[2-methoxy-4-(methylsulfanyl)benzoyl]piperidine |
DTXSID20360557 |
(2-methoxy-4-(methylthio)phenyl)(4-(phenylmethyl)-1-piperidinyl)-methanone |
sr-01000453315 |
SR-01000453315-1 |
CHEBI:92098 |
J-019798 |
Q27163890 |
p38 map kinase inhibitor vi, jx401 - cas 349087-34-9 |
(4-benzylpiperidin-1-yl)(2-methoxy-4-(methylthio)phenyl)methanone |
HMS3677P05 |
j8s , |
HMS3413P05 |
BRD-K05464208-001-04-0 |
SDCCGSBI-0207175.P002 |
piperidine, 1-[2-methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)- |
ZNA08734 |
p38 map kinase inhibitor vi, jx401 |
HY-108346 |
CS-0028424 |
Excerpt | Reference | Relevance |
---|---|---|
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
Class | Description |
---|---|
N-acylpiperidine | |
benzamides | |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 0.1889 | 0.1000 | 20.8793 | 79.4328 | AID488773; AID588453 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 9.1962 | 0.0041 | 10.8903 | 31.5287 | AID493106 |
USP1 protein, partial | Homo sapiens (human) | Potency | 56.2341 | 0.0316 | 37.5844 | 354.8130 | AID504865 |
GLS protein | Homo sapiens (human) | Potency | 5.0119 | 0.3548 | 7.9355 | 39.8107 | AID624146 |
estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 21.1317 | 0.0015 | 30.6073 | 15,848.9004 | AID1224819; AID1224820; AID1224821 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 10.0000 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 79.4328 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 1.0000 | 0.0060 | 26.1688 | 89.1251 | AID488953 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 4.7444 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
Ataxin-2 | Homo sapiens (human) | Potency | 15.8489 | 0.0119 | 12.2221 | 68.7989 | AID588378 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
negative regulation of receptor internalization | Ataxin-2 | Homo sapiens (human) |
regulation of translation | Ataxin-2 | Homo sapiens (human) |
RNA metabolic process | Ataxin-2 | Homo sapiens (human) |
P-body assembly | Ataxin-2 | Homo sapiens (human) |
stress granule assembly | Ataxin-2 | Homo sapiens (human) |
RNA transport | Ataxin-2 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
RNA binding | Ataxin-2 | Homo sapiens (human) |
epidermal growth factor receptor binding | Ataxin-2 | Homo sapiens (human) |
protein binding | Ataxin-2 | Homo sapiens (human) |
mRNA binding | Ataxin-2 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
cytoplasm | Ataxin-2 | Homo sapiens (human) |
Golgi apparatus | Ataxin-2 | Homo sapiens (human) |
trans-Golgi network | Ataxin-2 | Homo sapiens (human) |
cytosol | Ataxin-2 | Homo sapiens (human) |
cytoplasmic stress granule | Ataxin-2 | Homo sapiens (human) |
membrane | Ataxin-2 | Homo sapiens (human) |
perinuclear region of cytoplasm | Ataxin-2 | Homo sapiens (human) |
ribonucleoprotein complex | Ataxin-2 | Homo sapiens (human) |
cytoplasmic stress granule | Ataxin-2 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
AID1347154 | Primary screen GU AMC qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID588378 | qHTS for Inhibitors of ATXN expression: Validation | |||
AID1347045 | Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
AID504836 | Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation | 2002 | The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16 | Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. |
AID1347058 | CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
AID1347049 | Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
AID1347151 | Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID1347050 | Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay | 2019 | Science translational medicine, 07-10, Volume: 11, Issue:500 | Inhibition of natriuretic peptide receptor 1 reduces itch in mice. |
AID1347057 | CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
AID1347405 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
AID1347059 | CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation | 2019 | PloS one, , Volume: 14, Issue:7 | Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors. |
AID1347410 | qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library | 2019 | Cellular signalling, 08, Volume: 60 | A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening. |
AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
AID588349 | qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay | |||
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID1347411 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
[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 | 0 (0.00) | 18.2507 |
2000's | 1 (9.09) | 29.6817 |
2010's | 5 (45.45) | 24.3611 |
2020's | 5 (45.45) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.54) All Compounds (24.57) |
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 | 11 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |