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312917-14-9

312917-14-9 Structure

312917-14-9 Structure
IdentificationBack Directory
[Name]

N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamide
[CAS]

312917-14-9
[Synonyms]

SC-20267
TCS JNK 5a
JNK Inhibitor IX
JNK Inhibitor IX, >=98%
TCS JNK 5a(JNK Inhibitor IX)
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-naphthamide
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1-naphthalenecarboxamide
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamide
1-NaphthalenecarboxaMide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1-naphthalenecarboxamide JNK Inhibitor IX
[Molecular Formula]

C20H16N2OS
[MDL Number]

MFCD01005305
[MOL File]

312917-14-9.mol
[Molecular Weight]

332.419
Chemical PropertiesBack Directory
[Melting point ]

88-90oC
[Boiling point ]

486.8±45.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Store at RT
[solubility ]

Soluble in DMSO (up to 13 mg/ml with warming) or in Ethanol (up to 4 mg/ml with warming)
[form ]

Tan solid
[pka]

11.95±0.20(Predicted)
[color ]

Off-white
[Stability:]

Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
[InChI]

1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)
[InChIKey]

WQGDQGAFSDMBLA-UHFFFAOYSA-N
[SMILES]

[s]1c2c(c(c1NC(=O)c3c4c(ccc3)cccc4)C#N)CCCC2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

JNK inhibitor IX (312917-14-9) inhibits JNK2 and JNK3 via binding to the ATP binding domain. Displays little or no activity against JNK1, p38α and a panel of 30 other kinases.1?Induces prometaphase arrest-dependent apoptotic cell death in human Jurkat T cells.2
[Uses]

JNK Inhibitor IX is a potent and selective inhibitor of JNK2 and JNK3. Neuroresearch & Neuroprotective Product.
[Definition]

ChEBI: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide is a naphthalenecarboxamide.
[IC 50]

JNK3: 6.7 (pIC50); JNK2: 6.5 (pIC50)
[storage]

Store at RT
[References]

1) Angell?et al. (2007),?N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3; Med. Chem. Lett.,?17?1296 2) Jang?et al.?(2014),?Inhibition of JNK2 and JNK3 by JNK inhibitor IX induces prometaphase arrest-dependent apoptotic cell death in human Jurkat T cells?; Biochem. Biophys. Res. Commun.,?452?845
Spectrum DetailBack Directory
[Spectrum Detail]

N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamide(312917-14-9)1HNMR
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