280762-13-2

Basic information

• Product Name: endo-tert-butyl 3-[(2-aminophenyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
• Synonyms: endo-tert-butyl 3-[(2-aminophenyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
• CAS NO: 280762-13-2
• Molecular Weight: 317.431
• Mol File: 280762-13-2.mol

Chemical Properties

• CAS DataBase Reference: endo-tert-butyl 3-[(2-aminophenyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: endo-tert-butyl 3-[(2-aminophenyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate(280762-13-2)
• EPA Substance Registry System: endo-tert-butyl 3-[(2-aminophenyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate(280762-13-2)

Safety Data

• Hazardous Substances Data: 280762-13-2(Hazardous Substances Data)

Upstream product

• 207405-67-2 1,1-dimethylethyl endo-3-[(phenylmethyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate 
• 207405-68-3 tert-butyl 3-endo-amino-8-azabicyclo[3.2.1]octane-8-carboxylate 

Downstream Products

• 280762-27-8 C₁₄H₁₇N₃ 
• 478696-46-7 endo-1-(8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole 

Relevant articles and documents

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We recently described (J. Med. Chem. 2008, 51, 6538-6546) a novel class of CCR5 antagonists with strong anti-HIV potency. Herein, we detail SAR converting leads 1 and 2 to druglike molecules. The pivotal structural motif enabling this transition was the secondary sulfonamide substituent. Further finetuning of the substituent pattern in the sulfonamide paved the way to enhancing potency and bioavailability and minimizing hERG inhibition, resulting in discovery of clinical compound 122 (GSK163929).

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