280765-84-6

Basic information

• Product Name: [3β(S),5β,12α]-3-[[5-methoxy-1,5-dioxo-4-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-12-hydroxycholan-24-oic acid methyl ester
• Synonyms: [3β(S),5β,12α]-3-[[5-methoxy-1,5-dioxo-4-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-12-hydroxycholan-24-oic acid methyl ester
• CAS NO: 280765-84-6
• Molecular Weight: 682.898
• Mol File: 280765-84-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [3β(S),5β,12α]-3-[[5-methoxy-1,5-dioxo-4-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-12-hydroxycholan-24-oic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: [3β(S),5β,12α]-3-[[5-methoxy-1,5-dioxo-4-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-12-hydroxycholan-24-oic acid methyl ester(280765-84-6)
• EPA Substance Registry System: [3β(S),5β,12α]-3-[[5-methoxy-1,5-dioxo-4-[[(phenylmethoxy)carbonyl]amino]pentyl]amino]-12-hydroxycholan-24-oic acid methyl ester(280765-84-6)

Safety Data

• Hazardous Substances Data: 280765-84-6(Hazardous Substances Data)

Upstream product

• 42921-39-1 methyl 3β-formate-12α-hydroxycholanate 
• 32159-21-0 Cbz-L-pGlu-OH 
• 28050-36-4 3β,12α-Dihydroxy-5β-cholansaeure-methylester 
• 3245-38-3 methyl deoxycholate 
• 75857-94-2 (5S)-N-(benzyloxycarbonyl)-5-methoxycarbonyl-2-pyrrolidinone 

Relevant articles and documents

Scale-up of trisodium [(3Β,5Β,12α)-3-[[4(S)-4-[bis[2- [bis[(carboxy-kO)methyl]aminokN] ethyl]amino-kN]-4-(carboxy-kO)-1-oxobutyl] amino]-12-hydroxycholan-24- oato(6-)]gadolinate(3-)], a Gd(III) complex under development as a contrast agent for MRI coronary angiography

Process chemistry involved in the discovery and development routes to trisodium [(3Β,5Β,12α)-3-[[4(S)-4-[bis[2-[bis[(carboxykO) methyl]amino-kN]ethyl]amino-kN]-4-(carboxy-kO)-1-oxobutyl]- amino]-12- hydroxycholan-24-oato(6-)]gadolinate(3-)] (B22956/1) starting from L-glutamic acid and (3α,5Β,12α)-3,12-dihydroxycholan-24-oic acid is described. The best process is based on seven chemical steps and overcomes difficult purification protocols. Such process has been successfully implemented to prepare multikilogram batches of the target compound in 20% overall yield from (3α,5Β,12α)-3,12-dihydroxycholan-24-oic acid.