(alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S,3S)-4-chloro-3-hydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl]-L-phenylalaninamide

CAS: 1541171-67-8

Ref. TR-M725015

Product Information

• Name: (alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S,3S)-4-chloro-3-hydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl]-L-phenylalaninamide
• CAS: 1541171-67-8

Description

Applications (αS)-α-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S,3S)-4-chloro-3-hydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl]-L-phenylalaninamide is an impurtiy of Carfilzomib (C183460) which is a second-generation proteasome inhibitor that is used as a treatment in relapsed and refractory multiple myeloma.
References Fostier, K., et al.: Oncotargets. Therap., 5, 237 (2012); Geurink, P.P., et al.: J. Med. Chem., 56, 1262 (2013); McCormack, P.L., et al.: Drugs., 72, 2023 (2012);

• Brand: TRC

Chemical properties

• Molecular weight: 756.371
• Formula: C₄₀H₅₈ClN₅O₇
• InChI: InChI=1S/C40H58ClN5O7/c1-27(2)22-32(36(48)40(5,52)26-41)43-39(51)34(24-30-14-10-7-11-15-30)45-38(50)33(23-28(3)4)44-37(49)31(17-16-29-12-8-6-9-13-29)42-35(47)25-46-18-20-53-21-19-46/h6-15,27-28,31-34,52H,16-26H2,1-5H3,(H,42,47)(H,43,51)(H,44,49)(H,45,50)/t31-,32-,33-,34-,40?/m0/s1
• InChI key: InChIKey=ZGGLQLSTHZLELL-ASLMDWNWSA-N
• SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C(C)(O)CCl