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Chemical structure of MC-betaglucuronide-MMAE-1

GC66374

MC-betaglucuronide-MMAE-1

Also known as (2S,3S,4S,5R,6S)-6-[2-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]-4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

MC-betaglucuronide-MMAE-1 is a drug-linker conjugate for ADC with potent antitumor activity by using MMAE (a tubulin polymerization inhibitor), linked via the cleavable ADC linker MC-betaglucuronide

ChemicalCAS1703778-92-0MW1323.53FormulaC66H98N8O20
CAS number
1703778-92-0
Molecular weight
1323.53
Formula
C66H98N8O20
InChIKey
SBQIJGOPQUXPJF-CDCONWBCSA-N
Catalogue number
GC66374
Brand
GLPBIO
Computed properties PubChem CID 122647277 · XLogP 2.7 · TPSA 379 Ų · H-bond donors 9
XLogP
2.7
TPSA
379 Ų
H-bond donors
9
H-bond acceptors
20
Rotatable bonds
36
Heavy atoms
94

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](C)[C@H](C2=CC=CC=C2)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)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)NC(=O)CCNC(=O)CCCCCN5C(=O)C=CC5=O

Computed descriptors from PubChem (CID 122647277), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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