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Chemical structure of MC-Val-Cit-PAB-MMAF

GC61035

MC-Val-Cit-PAB-MMAF

Also known as (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

MC-Val-Cit-PAB-MMAF (Vc-MMAF) is a drug-linker conjugate for ADC by using the tubulin inhibitor, MMAF, linked via cathepsin cleavable MC-Val-Cit-PAB· MC-Val-Cit-PAB-MMAF shows antitumor activity

ChemicalCAS863971-17-9MW1330.61FormulaC68H103N11O16
CAS number
863971-17-9
Molecular weight
1330.61
Formula
C68H103N11O16
Solubility
DMSO： 100 mg/mL (75·15 mM)
InChIKey
BDITVJHHJUTHBB-DNIGJBFUSA-N
Catalogue number
GC61035
Brand
GLPBIO
Computed properties PubChem CID 56597792 · XLogP 5.2 · TPSA 364 Ų · H-bond donors 8
XLogP
5.2
TPSA
364 Ų
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
40
Heavy atoms
95

SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN4C(=O)C=CC4=O

Computed descriptors from PubChem (CID 56597792), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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