MC-Val-Cit-PAB-Indibulin

For research use only. Not for therapeutic Use.

  • CAT Number: I018046
  • CAS Number: 2055896-95-0
  • Molecular Formula: C50H55ClN9O8
  • Molecular Weight: 945.48
  • Purity: ≥95%
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MC-Val-Cit-PAB-Indibulin(Cat No.:I018046)is an antibody–drug conjugate (ADC) linker–payload construct that integrates a maleimidocaproyl (MC) linker, a cleavable valine-citrulline (Val-Cit) dipeptide, and a para-aminobenzyloxycarbonyl (PAB) self-immolative spacer with indibulin, a microtubule-targeting agent. The MC group allows stable conjugation to antibody cysteines, while the Val-Cit-PAB sequence ensures selective intracellular release upon protease cleavage. Indibulin, as the payload, disrupts microtubule dynamics and induces apoptosis in dividing cells. This modular system is widely studied in oncology research to develop next-generation ADCs with enhanced precision and reduced systemic toxicity.


CAS Number 2055896-95-0
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

Molecular Formula C50H55ClN9O8
Purity ≥95%
IUPAC Name 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@@H](C(=O)N[C@@H](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
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