173458-79-2

Basic information

• Product Name: 7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
• Synonyms: 7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
• CAS NO: 173458-79-2
• Molecular Weight: 377.445
• Mol File: 173458-79-2.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol(173458-79-2)
• EPA Substance Registry System: 7-benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol(173458-79-2)

Safety Data

• Hazardous Substances Data: 173458-79-2(Hazardous Substances Data)

Upstream product

• 64-18-6 formic acid 
• 55817-67-9 (1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)carbonohydrazonoyl dicyanide 
• 173458-77-0 7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol 

Downstream Products

• 173458-82-7 7-benzyl-4-chloro-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine 
• 929626-78-8 7-benzyl-5,6-diphenyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidine-4-thione 
• 1028275-75-3 (7-Benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-chloro-phenyl)-amine 

Relevant articles and documents

Synthesis and Kinetic Testing of Tetrahydropyrimidine-2-thione and Pyrrole Derivatives as Inhibitors of the Metallo-β-lactamase from Klebsiella pneumonia and Pseudomonas aeruginosa

Metallo-β-lactamases (MBLs), produced by an increasing number of bacterial pathogens, facilitate the hydrolysis of many commonly used β-lactam antibiotics. There are no clinically useful antagonists against MBLs. Two sets of tetrahydropyrimidine-2-thione and pyrrole derivatives were synthesized and assayed for their inhibitory effects on the catalytic activity of the IMP-1 MBL from Pseudomonas aeruginosa and Klebsiella pneumoniae. Nine compounds tested (1a, 3b, 5c, 6b, 7a, 8a, 11c, 13a, and 16a) showed micromolar inhibition constants (Ki values range from ~20-80μm). Compounds 1c, 2b, and 15a showed only weak inhibition. In silico docking was employed to investigate the binding mode of each enantiomer of the strongest inhibitor, 5c (Ki=19±9μm), as well as 7a (Ki=21±10μm), the strongest inhibitor of the pyrrole series, in the active site of IMP-1.

PYRROLOPYRIMIDINE DERIVATIVES HAVING PHARMACOLOGICAL ACTIVITY

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