1190389-15-1

Basic information

• Product Name: MB-07133
• Synonyms: (6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxopyrrolo[1,2-a]pyrimidine-6-carboxamide
• CAS NO: 1190389-15-1
• Molecular Formula: C₂₆H₂₈N₄O₃
• Molecular Weight: 444.52552
• Mol File: 1190389-15-1.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• Density: 1.36±0.1 g/cm3(Predicted)
• PKA: 13.55±0.70(Predicted)
• CAS DataBase Reference: MB-07133(CAS DataBase Reference)
• NIST Chemistry Reference: MB-07133(1190389-15-1)
• EPA Substance Registry System: MB-07133(1190389-15-1)

Safety Data

• Hazardous Substances Data: 1190389-15-1(Hazardous Substances Data)

Usage

Uses

Vibegron is a potent and selective β3 Adrenergic receptor agonist for the treatment of overactive bladder.

Upstream product

• 1426235-09-7 C₁₂H₁₇NO₂ 
• 2767-70-6 (p-nitrobenzyl)triphenylphosphonium bromide 
• 1190391-85-5 (2S,5R)-tert-butyl 2-(4-aminobenzyl)-5-((R)-hydroxy(phenyl)methyl)pyrrolidine-1-carboxylate 
• 1190392-23-4 methyl [6(S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-α]]pyrimidine-6-carboxylate 
• 1009092-91-4 tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate 
• 46032-98-8 (1R,2R)-2-amino-1-phenylpropane-1,3-diol 
• 4931-66-2 methyl (S)-pyroglutamate 
• 1295539-30-8 (R)-((2R,5S)-5-(4-aminobenzyl)pyrrolidin-2-yl)(phenyl)methanol 
• 1426235-02-0 C₃₁H₄₂N₂O₆ 
• 1190391-89-9 tert-butyl (4R,5R)-2,2-dimethyl-4-[4-(4-nitrophenyl)but-3-en-1-yl]-5-phenyl-1,3-oxazolidine-3-carboxylate 
• 1190391-88-8 (4R,5R)-2,2-dimethyl-4-(3-oxopropyl)-5-phenyl-3-oxazolidinecarboxylic acid 1,1-dimethylethyl ester 
• 1190391-87-7 tert-butyl (4R,5R)-2,2-dimethyl-4-[(1E)-3-oxoprop-1-en-1-yl]-5-phenyl-1,3-oxazolidine-3-carboxylate 

Relevant articles and documents

Synthesis of Vibegron Enabled by a Ketoreductase Rationally Designed for High pH Dynamic Kinetic Reduction

Described here is an efficient stereoselective synthesis of vibegron enabled by an enzymatic dynamic kinetic reduction that proceeds in a high-pH environment. To overcome enzyme performance limitations under these conditions, a ketoreductase was evolved by a computationally and structurally aided strategy to increase cofactor stability through tighter binding.

PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES

The application is directed to efficient and economical processes as described in more detail below for the preparation of the beta 3 agonists of the formula of I-7 and intermediate compounds that can be used for making these agonists. The present disclosure relates to a process for making beta-3 agonists and intermediates using ketoreductase (KRED) biocatalyst enzymes and methods of using the biocatalysts.

COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT

Described herein is an improved method of treating overactive bladder, wherein the method comprises administering to a patient in need thereof a beta 3 adrenergic receptor agonist, an antimuscarinic agent, and an optional selective M2 antagonist. Such combination therapy provides improved efficacy and/or reduced side effects.