Casopitant metabolite M12

Base Information

Chemical Name:Casopitant metabolite M12
CAS No.:921206-86-2
Molecular Formula:C28H31F7N4O2
Molecular Weight:588.569
Hs Code.:
UNII:B8N69DA7CR
Nikkaji Number:J2.910.259G
ChEMBL ID:CHEMBL3542396

Synonyms:Casopitant metabolite M12;B8N69DA7CR;GSK631832;UNII-B8N69DA7CR;GSK-631832;(2R,4S)-N-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(3-oxo-1-piperazinyl)-1-piperidinecarboxamide;1-Piperidinecarboxamide, N-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethyl)-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(3-oxo-1-piperazinyl)-, (2R,4S)-;921206-86-2;SCHEMBL5592152;CHEMBL3542396;(2R,4S)-4-(3-Oxopiperazino)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide

Suppliers and Price of Casopitant metabolite M12

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of Casopitant metabolite M12

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:588.23352338
Heavy Atom Count:41
Complexity:910

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCNC(=O)C4
Isomeric SMILES:CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCNC(=O)C4

Technology Process of Casopitant metabolite M12

There total 1 articles about Casopitant metabolite M12 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 15.0%

: 5625-67-2
2-Ketopiperazine

: 414910-03-5
(2R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-oxo-1-piperidinecarboxamide

: 921206-86-2
GSK₆₃₁₈₃₂

Guidance literature:: 2-Ketopiperazine; (2R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-oxo-1-piperidinecarboxamide; In dichloromethane; acetonitrile; at 20 ℃;

With sodium tris(acetoxy)borohydride; In dichloromethane; acetonitrile; for 6h;