CAS 172649-40-0

3-[(4S)-5-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDROQUINOLIN-4-YL]BENZONITRILE

Description:

3-[(4S)-5-OXO-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinolin-4-yl]benzonitrile, with CAS number 172649-40-0, is a chemical compound characterized by its complex structure, which includes a hexahydroquinoline moiety and a benzonitrile group. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The compound features a ketone functional group, contributing to its reactivity and potential interactions in biological systems. Its stereochemistry, indicated by the (4S) configuration, suggests specific spatial arrangements that can affect its pharmacological properties. This compound may exhibit significant interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features that could interact with biological targets. Additionally, the nitrile group can participate in various chemical reactions, making it versatile for further synthetic modifications. Overall, the compound's characteristics suggest potential applications in drug discovery and development, although specific biological activities would require empirical investigation.

Formula: C₁₇H₁₃F₃N₂O

InChI: InChI=1/C17H13F3N2O/c18-17(19,20)15-8-12(11-4-1-3-10(7-11)9-21)16-13(22-15)5-2-6-14(16)23/h1,3-4,7-8,12,22H,2,5-6H2/t12-/m0/s1

SMILES: c1cc(cc(c1)[C@@H]1C=C(C(F)(F)F)NC2=C1C(=O)CCC2)C#N

Synonyms:

• Zd0947

ZD-0947

CAS: 172649-40-0

ZD-0947, a K(ATP) channel activator, is used potentially for the treatment of overactive bladder (OAB).

Formula: C₁₇H₁₃F₃N₂O

Color and Shape: Solid

Molecular weight: 318.29

Ref: TM-T29208