MC-VC-PABC-DNA31

• CAT Number: I018053
• CAS Number: 1639352-03-6
• Molecular Formula: C77H96N10O21
• Molecular Weight: 1497.64
• Purity: ≥95%
• Synonyms: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
• InChI: InChI=1S/C77H96N10O21/c1-38(2)60(83-54(90)20-13-12-14-31-87-55(91)25-26-56(87)92)74(100)82-50(19-16-30-79-75(78)101)73(99)80-47-23-21-46(22-24-47)37-104-76(102)81-48-27-32-86(33-28-48)49-35-51(89)61-53(36-49)107-70-62(84-61)57-58-66(95)44(8)69-59(57)71(97)77(10,108-69)105-34-29-52(103-11)41(5)68(106-45(9)88)43(7)65(94)42(6)64(93)39(3)17-15-18-40(4)72(98)85-63(70)67(58)96/h15,17-18,21-26,29,34-36,38-39,41-43,48,50,52,60,64-65,68,93-95,97H,12-14,16,19-20,27-28,30-33,37H2,1-11H3,(H,80,99)(H,81,102)(H,82,100)(H,83,90)(H,85,98)(H3,78,79,101)/b17-15+,34-29+,40-18-/t39-,41+,42+,43+,50-,52-,60-,64-,65+,68+,77-/m0/s1
• InChIKey: MJUSLPQDGZEJSC-UFQKGPKISA-N
• SMILES: CC1C=CC=C(C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C(C(O5)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCC(CC7)NC(=O)OCC8=CC=C(C=C8)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN9C(=O)C=CC9=O)O3)C

MC-VC-PABC-DNA31 is a agent-linker conjugate for ADC with potent antitumor activity by using DNA31 (a potent RNA polymerase inhibitor), linked via the ADC linker MC-VC-PABC.

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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