Piperidine, 1-(2-methoxy-4-(methylthio)benzoyl)-4-(phenylmethyl)-

Base Information

• Chemical Name: Piperidine, 1-(2-methoxy-4-(methylthio)benzoyl)-4-(phenylmethyl)-
• CAS No.: 349087-34-9
• Molecular Formula: C21H25NO2S
• Molecular Weight: 355.49
• European Community (EC) Number: 636-896-0
• UNII: TBU7UTV30Q
• DSSTox Substance ID: DTXSID20360557
• Wikidata: Q27163890
• ChEMBL ID: CHEMBL1450144
• Mol file: 349087-34-9.mol

Synonyms:JX-401;349087-34-9;JX 401;JX401;TBU7UTV30Q;1-[2-Methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)piperidine;Piperidine, 1-(2-methoxy-4-(methylthio)benzoyl)-4-(phenylmethyl)-;(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone;Methanone, (2-methoxy-4-(methylthio)phenyl)(4-(phenylmethyl)-1-piperidinyl)-;Piperidine, 1-[2-methoxy-4-(methylthio)benzoyl]-4-(phenylmethyl)-;UNII-TBU7UTV30Q;C21H25NO2S;(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone;Oprea1_085278;Oprea1_772012;SCHEMBL159145;CHEMBL1450144;CHEBI:92098;DTXSID20360557;HMS3229J09;HMS3261N05;HMS3269J21;HMS3413P05;HMS3677P05;ZNA08734;Tox21_500542;HB1298;STK217901;AKOS000646768;CCG-221846;LP00542;SDCCGSBI-0207175.P002;NCGC00167816-01;NCGC00167816-02;NCGC00261227-01;p38 MAP Kinase Inhibitor VI, JX401;HY-108346;CS-0028424;SR-01000453315;J-019798;SR-01000453315-1;BRD-K05464208-001-01-6;BRD-K05464208-001-04-0;Q27163890;p38 MAP Kinase Inhibitor VI, JX401 - CAS 349087-34-9;(4-Benzylpiperidin-1-yl)(2-methoxy-4-(methylthio)phenyl)methanone;4-BENZYL-1-[2-METHOXY-4-(METHYLSULFANYL)BENZOYL]PIPERIDINE;(2-methoxy-4-(methylthio)phenyl)(4-(phenylmethyl)-1-piperidinyl)-Methanone;J8S

Chemical Property of Piperidine, 1-(2-methoxy-4-(methylthio)benzoyl)-4-(phenylmethyl)-

Chemical Property:

• Vapor Pressure: 1.28E-11mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 537.3 °C at 760 mmHg
• Flash Point: 278.8 °C
• PSA: 54.84000
• Density: 1.17 g/cm³
• LogP: 4.44990
• Storage Temp.: Store at RT
• Solubility.: Soluble in DMSO (up to 25 mg/ml) or in Ethanol (up to 20 mg/ml).
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 355.16060021
• Heavy Atom Count: 25
• Complexity: 416

Purity/Quality:

99% ^*data from raw suppliers

JX 401 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)SC)C(=O)N2CCC(CC2)CC3=CC=CC=C3
• Description: JX401 (349087-34-9) is a potent, cell-permeable inhibitor of p38α (IC50 = 32 nM). No inhibition of p38β was observed at 10 μM.
• Uses: JX-401 is a potent, reversible inhibitor of the p38α isoform of MAP kinase (IC50 = 32 nM). It does not inhibit the p38γ isoform. JX-401 is effective in mammalian cells, as it blocks the differentiation of myoblasts into myotubes.[Cayman Chemical] JX-401 is an inhibitor of p38α isoform MAP kinase, blocks the differentiation of myoblasts and myotubes.