CAS 473289-62-2

(4S,7S,12bR)-7-[[(2S)-2-(Acetylthio)-3-methyl-1-oxobutyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido[2,1-a][2]benzazepine-4-carboxylic acid

Description:

The chemical substance with the name "(4S,7S,12bR)-7-[[(2S)-2-(Acetylthio)-3-methyl-1-oxobutyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido[2,1-a][2]benzazepine-4-carboxylic acid" and CAS number 473289-62-2 is a complex organic compound characterized by its multi-cyclic structure, which includes a pyrido-benzazepine framework. This compound features multiple stereocenters, indicating that it exists in specific stereoisomeric forms, which can significantly influence its biological activity and pharmacological properties. The presence of functional groups such as an acetylthio moiety and a carboxylic acid suggests potential reactivity and interactions with biological targets. Its octahydro structure indicates a saturated ring system, contributing to its stability and solubility characteristics. Such compounds are often investigated for their potential therapeutic applications, particularly in the fields of medicinal chemistry and drug development, where their unique structural features may confer specific biological activities. Further studies would be necessary to elucidate its precise mechanisms of action and potential uses in clinical settings.

Formula: C₂₂H₂₈N₂O₅S

InChI: InChI=1S/C22H28N2O5S/c1-12(2)19(30-13(3)25)20(26)23-16-11-14-7-4-5-8-15(14)17-9-6-10-18(22(28)29)24(17)21(16)27/h4-5,7-8,12,16-19H,6,9-11H2,1-3H3,(H,23,26)(H,28,29)/t16-,17+,18-,19-/m0/s1

InChI key: InChIKey=FXKFFTMLFPWYFH-RDGPPVDQSA-N

SMILES: C(O)(=O)[C@H]1N2[C@@](C=3C(C[C@H](NC([C@@H](SC(C)=O)C(C)C)=O)C2=O)=CC=CC3)(CCC1)[H]

Synonyms:

• (4S,7S,12bR)-7-[[(2S)-2-(Acetylthio)-3-methyl-1-oxobutyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido[2,1-a][2]benzazepine-4-carboxylic acid
• Ave 7688
• Ilepatril
• Pyrido[2,1-a][2]benzazepine-4-carboxylic acid, 7-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, (4S,7S,12bR)-
• lepatril

Ilepatril

Controlled Product

CAS: 473289-62-2

Formula: C₂₂H₂₈N₂O₅S

Color and Shape: White To Off-White

Molecular weight: 432.533

Ref: TR-I266500

Ilepatril

CAS: 473289-62-2

Ilepatril is a research tool that can be used as an activator, ligand, or receptor. Ilepatril is a small molecule that binds to ion channels and alters their activity. It is also a high-purity small molecule with pharmacological potential that interacts with peptides and proteins. Ilepatril has been shown to inhibit the voltage-gated sodium channel Nav1.7 (SCN9A) in cell culture studies on human dorsal root ganglion neurons from patients with neuropathic pain.

Formula: C₂₂H₂₈N₂O₅S

Purity: Min. 95%

Molecular weight: 432.50 g/mol

Ref: 3D-YTA28962

Ilepatril

CAS: 473289-62-2

Ilepatril, also known as AVE-7688, is a vasopeptidase inhibitor for the treatment of hypertension.

Formula: C₂₂H₂₈N₂O₅S

Color and Shape: Solid

Molecular weight: 432.53

Ref: TM-T69214