MC-Val-Cit-PAB-Indibulin

• CAT Number: I018046
• CAS Number: 2055896-95-0
• Molecular Formula: C50H55ClN9O8
• Molecular Weight: 945.48
• Purity: ≥95%
• Synonyms: N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridin-1-ium-1-yl]methyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
• InChI: InChI=1S/C50H54ClN9O8/c1-32(2)45(57-42(61)12-4-3-7-26-60-43(62)21-22-44(60)63)48(66)56-40(10-8-25-53-50(52)68)47(65)54-36-19-15-33(16-20-36)29-58-27-23-37(24-28-58)55-49(67)46(64)39-31-59(41-11-6-5-9-38(39)41)30-34-13-17-35(51)18-14-34/h5-6,9,11,13-24,27-28,31-32,40,45H,3-4,7-8,10,12,25-26,29-30H2,1-2H3,(H6,52,53,54,56,57,61,65,66,68)/p+1/t40-,45-/m0/s1
• InChIKey: QLPCKALAMKCOEG-FQDNZFBXSA-O
• SMILES: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)NC(=O)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)NC(=O)CCCCCN6C(=O)C=CC6=O

MC-Val-Cit-PAB-Indibulin is a agent-linker conjugate for ADC with potent antitumor activity by using Indibulin (an orally applicable inhibitor of tubulin assembly), 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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