MC-Val-Cit-PAB-clindamycin

• CAT Number: I018047
• CAS Number: 1639793-13-7
• Molecular Formula: C46H72Cl2N8O11S
• Molecular Weight: 1016.08
• Purity: ≥95%
• Synonyms: (2S,4R)-1-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl]-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidin-1-ium-2-carboxamide
• InChI: InChI=1S/C46H71ClN8O11S/c1-7-12-29-23-32(43(63)53-37(27(4)47)41-39(60)38(59)40(61)45(66-41)67-6)55(5,25-29)24-28-15-17-30(18-16-28)50-42(62)31(13-11-21-49-46(48)65)51-44(64)36(26(2)3)52-33(56)14-9-8-10-22-54-34(57)19-20-35(54)58/h15-20,26-27,29,31-32,36-41,45,59-61H,7-14,21-25H2,1-6H3,(H6-,48,49,50,51,52,53,56,62,63,64,65)/p+1/t27-,29+,31-,32-,36-,37+,38-,39+,40+,41+,45+,55?/m0/s1
• InChIKey: KINAEBJVJLCQDX-DCAHZPCSSA-O
• SMILES: CCCC1CC([N+](C1)(C)CC2=CC=C(C=C2)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN3C(=O)C=CC3=O)C(=O)NC(C4C(C(C(C(O4)SC)O)O)O)C(C)Cl

MC-Val-Cit-PAB-clindamycin is a agent-linker conjugate for ADC with potent antitumor activity by using clindamycin (a protein synthesis 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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