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Chemical structure of Mc-MMAE

GC36561

Mc-MMAE

Also known as 6-(2,5-dioxopyrrol-1-yl)-N-[(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]-N-methylhexanamide

Mc-MMAE is a protective group (maleimidocaproyl)-conjugated monomethyl auristatin E (MMAE), which is a potent tubulin inhibitor· Mc-MMAE is a drug-linker conjugate for ADC

ChemicalCAS863971-24-8MW911.18FormulaC49H78N6O10
CAS number
863971-24-8
Molecular weight
911.18
Formula
C49H78N6O10
Solubility
DMSO： ≥ 51 mg/mL (55·97 mM)
InChIKey
UGJOTJHSQWBROP-AXJCKIDNSA-N
Catalogue number
GC36561
Brand
GLPBIO
Computed properties PubChem CID 59168780 · XLogP 4.3 · TPSA 195 Ų · H-bond donors 3
XLogP
4.3
TPSA
195 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
26
Heavy atoms
65

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)CCCCCN3C(=O)C=CC3=O

Computed descriptors from PubChem (CID 59168780), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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