MC-Val-Cit-PAB-carfilzomib iodide

• CAT Number: I018050
• CAS Number: 2055896-83-6
• Molecular Formula: C68H96IN11O13
• Molecular Weight: 1402.46
• Purity: ≥95%
• Synonyms: (2S)-2-[[(2S)-2-[[2-[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl]morpholin-4-ium-4-yl]acetyl]amino]-4-phenylbutanoyl]amino]-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide;iodide
• InChI: InChI=1S/C68H95N11O13.HI/c1-44(2)38-53(61(84)68(7)43-92-68)74-65(88)55(40-48-20-13-9-14-21-48)76-64(87)54(39-45(3)4)75-63(86)52(29-26-47-18-11-8-12-19-47)72-57(81)42-79(34-36-91-37-35-79)41-49-24-27-50(28-25-49)71-62(85)51(22-17-32-70-67(69)90)73-66(89)60(46(5)6)77-56(80)23-15-10-16-33-78-58(82)30-31-59(78)83;/h8-9,11-14,18-21,24-25,27-28,30-31,44-46,51-55,60H,10,15-17,22-23,26,29,32-43H2,1-7H3,(H9-,69,70,71,72,73,74,75,76,77,80,81,85,86,87,88,89,90);1H/t51-,52-,53-,54-,55-,60-,68+;/m0./s1
• InChIKey: LZSSFWVHVYJCSL-FWDVWTIGSA-N
• SMILES: CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)C[N+]4(CCOCC4)CC5=CC=C(C=C5)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN6C(=O)C=CC6=O.[I-]

MC-Val-Cit-PAB-carfilzomib iodide is a agent-linker conjugate for ADC with potent antitumor activity by using carfilzomib (an irreversible proteasome inhibitor), linked via the ADC linker MC-Val-Cit-PAB.

Reference

[1]. Staben LR, et al. Targeted drug delivery through the traceless release of tertiary and heteroaryl amines from antibody-drug conjugates. Nat Chem. 2016 Dec;8(12):1112-1119.
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