1147095-60-0

Basic information

• Product Name: S-[4-(N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methoxyphenyl}carbamoyl)phenyl]-S-methyl sulfoximide
• Synonyms: S-[4-(N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methoxyphenyl}carbamoyl)phenyl]-S-methyl sulfoximide
• CAS NO: 1147095-60-0
• Molecular Weight: 458.925
• Mol File: 1147095-60-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: S-[4-(N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methoxyphenyl}carbamoyl)phenyl]-S-methyl sulfoximide(CAS DataBase Reference)
• NIST Chemistry Reference: S-[4-(N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methoxyphenyl}carbamoyl)phenyl]-S-methyl sulfoximide(1147095-60-0)
• EPA Substance Registry System: S-[4-(N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methoxyphenyl}carbamoyl)phenyl]-S-methyl sulfoximide(1147095-60-0)

Safety Data

• Hazardous Substances Data: 1147095-60-0(Hazardous Substances Data)

Upstream product

• 114129-35-0 methyl 4-(methylsulfinyl)benzoate 
• 1882-69-5 5-methoxy-2-nitro-benzoic acid 
• 1147096-74-9 C₁₆H₁₄ClNO₄S 
• 1147096-51-2 methyl 4-[imino(methyl)oxo-λ⁶-sulfanyl]benzoate 
• 1147096-52-3 methyl 4-(N-((benzyloxy)carbonyl)-S-methylsulfonimidoyl)benzoate 
• 1147096-53-4 4-(N-((benzyloxy)carbonyl)-S-methylsulfonimidoyl)benzoic acid 
• 1072-98-6 5-chloro-2-pyridylamine 
• 280773-16-2 5-methoxy-2-nitro-N-(5-chloro-pyridine-2-yl)benzamide 
• 280773-17-3 2-amino-N-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide 

Downstream Products

• 1147095-86-0 S-[4-(N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]-4-methoxyphenyl}carbamoyl)phenyl]-S-methyl-N-(2-diethylamino-acetyl)sulfoximide 

Relevant articles and documents

Synthesis and structure-activity relationship of potent, selective and orally active anthranilamide-based factor Xa inhibitors: Application of weakly basic sulfoximine group as novel S4 binding element

A novel series of potent and efficacious factor Xa inhibitors which possesses sulfoximine moiety as novel S4 binding element in anthranilamide chemotype has been identified. Lead optimization at this novel P4 group led to many potent factor Xa inhibitors with excellent anticoagulant activity in human plasma. Selected compounds were dosed orally in rats and checked for their ex vivo prothrombin time prolonging activity, which resulted in identification of compound 5-chloro-N-(5-chloropyridin-2-yl)-2-(4-(N-(2-(diethylamino)acetyl)-S- methylsulfonimidoyl)benzamido)benzamide (18f). The detailed pharmacokinetic evaluation and subsequent metabolism study of 18f suggested the presence of an active metabolite. The compound 18f and its active metabolite 18b demonstrated excellent in vivo efficacy in both arterial and venous thrombosis model in rats and were found to be highly selective against related serine proteases. Based on this promising profile, compound 18f was selected for further evaluation.