Basic information
- CAS
908380-97-2- Standard SMILES
CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S(C)=O)n2C)ccn1- InChIKey
DRMJRHUMYBYDIX-UHFFFAOYSA-N- Molecular formula
- C18H17FN4O2S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.10562513
Overview
inhibits both p38 MAP kinase and phosphodiesterase 4; structure in first source
Names & identifiers
- Preferred name
- Cbs-3595
- IUPAC
- N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]-2-pyridinyl]acetamide
- English name
- Acetamide, N-[4-[4-(4-fluorophenyl)-1-methyl-2-(methylsulfinyl)-1H-imidazol-5-yl]-2-pyridinyl]-
- Molecular formula
- C18H17FN4O2S
- Molecular weight
- 372.42
Names & synonyms
CBS-3595908380-97-2MOC9KI2UHAN-(4-(4-(4-Fluorophenyl)-1-methyl-2-(methylsulfinyl)-1H-imidazol-5-yl)-2-pyridinyl)acetamideRefChem:124076N-(4-(5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl)pyridin-2-yl)acetamideUNII-MOC9KI2UHACHEMBL1773422N-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamideN-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfinylimidazol-4-yl]pyridin-2-yl]acetamideorb1700907SCHEMBL2841705
Show more names
CBS3595CBS 3595Acetamide, N-[4-[4-(4-fluorophenyl)-1-methyl-2-(methylsulfinyl)-1H-imidazol-5-yl]-2-pyridinyl]-
SCHEMBL29357806BDBM50249598AKOS040748094N-(4-(4-(4-FLUOROPHENYL)-1-METHYL-2-(METHYLSULFINYL)-1H-IMIDAZOL-5-YL)PYRIDIN-2-YL)ACETAMIDEHY-111164C92480T26964
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 13.51 · 13.51±0.70(Predicted)
- FDA UNII
- 9 KI2UHA · MOC9KI2UHA
Chemistry & industry
Applications
UsesCBS-3595 is a dual inhibitor of p38 MAP kinase and phosphodiesterase 4 with anti-inflammatory and anti-allodynic activities. CBS-3595 reduces the production of the proinflammatory cytokine IL-6 and increases the levels of the anti-inflammatory cytokine IL-10 in rats. CBS-3595 reduces paw oedema formation in the Complete Freund’s adjuvant (CFA) (HY-153808)-induced arthritis rat model. CBS-3595 is promising for research of autoimmune diseases[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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