Basic information
- CAS
894804-07-0- Standard SMILES
CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N- InChIKey
KQMPRSZTUSSXND-UHFFFAOYSA-N- Molecular formula
- C18H20N4O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.14845513
Names & identifiers
- Preferred name
- JNK Inhibitor VIII
- IUPAC
- N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxyphenyl)acetamide
- English name
- TCS JNK 6o
- Molecular formula
- C18H20N4O4
- Molecular weight
- 356.38
Names & synonyms
JNK Inhibitor VIII894804-07-0N-(4-Amino-5-cyano-6-ethoxypyridin-2-yl)-2-(2,5-dimethoxyphenyl)acetamideDTXSID20469650RefChem:1087902DTXCID20420468TCS JNK 6oaminopyridine deriv. 2MFCD19690908N-(4-Amino-5-cyano-6-ethoxy-2-pyridinyl)-2,5-dimethoxybenzeneacetamideN-(4-amino-5-cyano-6-ethoxy-2-pyridyl)-2-(2,5-dimethoxyphenyl)acetamideKinome_3020
Show more names
TCS JNK 6o(JNK Inhibitor VIII)JNK INHIBITOR VIII (TCS JNK 6O)JNK Inhibitor VIII, 10 mM in DMSOJNK,inhibit,Inhibitor,JNK Inhibitor VIIIJNK inhibitor VIII - JNK inhibitor compound 6oBenzeneacetamide, N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2,5-dimethoxy-
TCS-JNK-6oJNK inhibitor compound 6oSCHEMBL157014CHEMBL210618GTPL5998orb1220110orb1299601SCHEMBL29405886
Database identifiers
- CAS
894804-07-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- crystalline solid
- color
- White to off-white
- InChI
- 1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)
- InChIKey
- KQMPRSZTUSSXND-UHFFFAOYSA-N
- SMILES
- N(c2nc(c(c(c2)N)C#N)OCC)C(=O)Cc1c(ccc(c1)OC)OC
- UNSPSC Code
- 41116133 · 41116133
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- WGK Germany
- 2 · WGK 2
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 2
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Descriptionc-Jun amino terminal kinases (JNKs) are MAP kinase family members that become highly activated after cells are exposed to stress conditions and are poorly activated by exposure to growth factors or mitogens. They have been implicated in neurodegeneration, rheumatoid arthritis, inflammation, cancer, and diabetes. JNK1 and JNK2 are widely expressed throughout the body whereas JNK3 is predominantly distributed in the brain. JNK Inhibitor VIII is an aminopyridine compound that inhibits JNK1, JNK2, and JNK3 with Ki values of 2, 4, and 52 nM, respectively. It has been reported to inhibit the phosphorylation of the JNK substrate c-Jun in HepG2 cells (EC50 = 920 nM) without affecting the expression of IL-6, IL-8, or COX-2.
UsesJNK Inhibitor VIII is an inhibitor shown to suppress apoptosis, caspase cleavage, and cytochrome C release.
Suppliers38 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Related reactions
0 records
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Compound notes
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