168163-02-8

Basic information

• Product Name: Acetic acid, [4,4-difluoro-1,2,3,4-tetrahydro-1-[4-[[2-(1-methylethoxy)benzoyl]amino] benzoyl]-5H-1-benzazepin-5-ylidene]-, (2Z)-
• CAS NO: 168163-02-8
• Molecular Formula: C29H26F2N2O5
• Molecular Weight: 520.533
• Mol File: 168163-02-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Acetic acid, [4,4-difluoro-1,2,3,4-tetrahydro-1-[4-[[2-(1-methylethoxy)benzoyl]amino] benzoyl]-5H-1-benzazepin-5-ylidene]-, (2Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, [4,4-difluoro-1,2,3,4-tetrahydro-1-[4-[[2-(1-methylethoxy)benzoyl]amino] benzoyl]-5H-1-benzazepin-5-ylidene]-, (2Z)-(168163-02-8)
• EPA Substance Registry System: Acetic acid, [4,4-difluoro-1,2,3,4-tetrahydro-1-[4-[[2-(1-methylethoxy)benzoyl]amino] benzoyl]-5H-1-benzazepin-5-ylidene]-, (2Z)-(168163-02-8)

Safety Data

• Hazardous Substances Data: 168163-02-8(Hazardous Substances Data)

Upstream product

• 66849-11-4 2-(isopropoxy)benzoyl chloride 
• 63635-26-7 2-isopropoxybenzoic acid 
• 168162-78-5 methyl (Z)-[4,4-difluoro-1-[4-(2-isopropoxybenzoyl)amino]benzoyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-ylidene]acetate 

Relevant articles and documents

Preparation of non-peptide, highly potent and selective antagonists of arginine vasopressin V1a receptor by introduction of alkoxy groups

A series of compounds structurally related to 4′-[(4,4-difluoro-5- methylidene-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl)carbonyl]benzanilide were synthesized and evaluated for arginine vasopressin (AVP) antagonistic activity. Compounds with alkoxy groups (especially ethoxy group) at the 2′-position of benzanilide possessed potent affinity and selectivity for the V1A receptor versus V2 receptor. Further study has shown that the introduction of 4,4-dimethylaminopiperidino and morpholino groups at carbonylmethylene exhibited more potent affinity and selectivity for V 1A receptors. Consequently, we found that the (Z)-4′-({4,4- Difluoro-5-[(4-dimethylaminopiperidino) carbonylmethylene]-2,3,4,5-tetrahydro- 1H-1-benzoazepin-1-yl}carbonyl)-2-ethoxybenzanilide monohydrochloride (8d) and the (Z)-4′-[(4,4-Difluoro-5-morpholinocarbamoylethylene-2,3,4,5- tetrahydro-1H-1-benzoazepin-1-yl)carbonyl]-2-ethoxybenzanilide (8q) exhibited potent and selective V1A receptor antagonist activity. The synthesis and pharmacological properties of these compounds are detailed in this paper.