193965-86-5

Basic information

• Product Name: (3,4-Difluoro-phenyl)-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-methanone
• CAS NO: 193965-86-5
• Molecular Weight: 463.548
• Mol File: 193965-86-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (3,4-Difluoro-phenyl)-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-methanone(CAS DataBase Reference)
• NIST Chemistry Reference: (3,4-Difluoro-phenyl)-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-methanone(193965-86-5)
• EPA Substance Registry System: (3,4-Difluoro-phenyl)-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-methanone(193965-86-5)

Safety Data

• Hazardous Substances Data: 193965-86-5(Hazardous Substances Data)

Upstream product

• 76903-88-3 3,4-difluorobenzoyl chloride 
• 193964-19-1 2-[4-[2-(1-pyrrolidinyl)ethoxy]-phenyl]benzo[b]thiophene 

Downstream Products

• 193965-87-6 [3-Fluoro-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-yl}-methanone 

Relevant articles and documents

Dibasic benzo[b]thiophene derivatives as a novel class of active site directed thrombin inhibitors. 2. Exploring interactions at the proximal (S2) binding site

In an effort to increase the thrombin inhibitory activity of a novel series of inhibitors (i.e., 1a), substituents were incorporated at the C-3' position of the C-3 aryl ring (2). Consistent with the X-ray crystallography studies, small hydrophobic groups at the C-3' site (Br and Me) enhanced thrombin inhibitory activity by 8-fold. However, a few more hydrophilic substituents (NO2 and OMe) also enhanced the potency of the series. The biological results are discussed in terms of molecular modeling studies.