JNK inhibitor IX

HCID 766949
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Basic information

CAS
312917-14-9
Standard SMILES
N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2
InChIKey
WQGDQGAFSDMBLA-UHFFFAOYSA-N
Molecular formula
C20H16N2OS
Average molar mass
332.4 g/mol
Monoisotopic mass
332.09833413

Overview

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide is a naphthalenecarboxamide.

Names & identifiers

Preferred name
JNK inhibitor IX
IUPAC
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
English name
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamide
Molecular formula
C20H16N2OS
Molecular weight
332.42

Names & synonyms

312917-14-9JNK Inhibitor IXN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamideDTXSID70354224RefChem:1087901DTXCID60305285TCS JNK 5aN-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1-naphthamideSC-202671MFCD01005305GW620972XTCS JNK 5a (JNK Inhibitor IX)
Show more names
CS-320JNK-5ASC-20267F0016-0404SC-202671, >98%TCS JNK 5a, >98%SC-202671 TCSJNK5a
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thienyl-2-yl)-1-naphthalenecarboxamideTCS-JNK-5aAC1LG8KTN-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-1-naphthalenecarboxamideBAS 01816608JNKInhibitorIXOprea1_707865MLS006012028

Database identifiers

CAS
312917-14-9
PubChem CID
766949
DTXSID
DTXSID70354224
ChEMBL
CHEMBL233001
ChEBI
CHEBI:91453

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
81.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

Physicochemical properties

Melting point
88 · 88-90oC
Boiling point
486.8 · 486.8±45.0 °C(Predicted)
Density
1.32 · 1.32±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in DMSO (up to 13 mg/ml with warming) or in Ethanol (up to 4 mg/ml with warming)
form
Tan solid

Safety & regulation

Safety data

wgk
WGK 3
hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319-H335

Chemistry & industry

Applications · 2 items

DescriptionJNK 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.1Induces prometaphase arrest-dependent apoptotic cell death in human Jurkat T cells.2

UsesJNK Inhibitor IX is a potent and selective inhibitor of JNK2 and JNK3. Neuroresearch & Neuroprotective Product.

Suppliers93 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide is a naphthalenecarboxamide.

Related reactions

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Compound notes

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