455902-03-1

Basic information

• Product Name: 5-(2,4-difluoro-benzyl)-hexahydro-pyrrolo[3.4-c]pyrrole-2-carboxylic Acid Tert-Butyl Ester
• Synonyms: 5-(2,4-difluoro-benzyl)-hexahydro-pyrrolo[3.4-c]pyrrole-2-carboxylic Acid Tert-Butyl Ester
• CAS NO: 455902-03-1
• Molecular Weight: 338.398
• Mol File: 455902-03-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 5-(2,4-difluoro-benzyl)-hexahydro-pyrrolo[3.4-c]pyrrole-2-carboxylic Acid Tert-Butyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(2,4-difluoro-benzyl)-hexahydro-pyrrolo[3.4-c]pyrrole-2-carboxylic Acid Tert-Butyl Ester(455902-03-1)
• EPA Substance Registry System: 5-(2,4-difluoro-benzyl)-hexahydro-pyrrolo[3.4-c]pyrrole-2-carboxylic Acid Tert-Butyl Ester(455902-03-1)

Safety Data

• Hazardous Substances Data: 455902-03-1(Hazardous Substances Data)

Upstream product

• 1550-35-2 2,4-difluorobenzaldehyde 
• 56553-60-7 sodium tris(acetoxy)borohydride 
• 141449-85-6 tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate 

Relevant articles and documents

Identification of benzothiazones containing a hexahydropyrrolo[3,4-: C] pyrrol moiety as antitubercular agents against MDR-MTB

IMB1603, a spiro-benzothiazone compound discovered by our lab, displayed potent anti-MTB activity in vitro and in vivo. In this study, we reported a series of new BTZs containing the hexahydropyrrolo[3,4-c]pyrrol moiety based on the structure of IMB1603. Among them, BTZs 11 and 24 displayed potent anti-MTB (MIC -1), and low cytotoxicity (CC50 > 200 μM), suggesting BTZs 11 and 24 may serve as promising candidates for further study. The molecular docking study of 11 toward DprE was also investigated, and revealed that 11 mimicked the binding pattern of PBTZ169 in the active site of DprE1.