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Chemical structure of Cys-McMMAF

GC68929

Cys-McMMAF

Also known as (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

“Cys-McMMAF“ is the payload released by “AlMcMMAF“, a humanized A1 antibody that targets 5T4 and is coupled to microtubule-disrupting MMAF via a maleimide linker· Cys-McMMAF has anti-tumor effects in two mouse models of cancer (H1975 and MDA-MB-361-DYT2)

ChemicalCAS1160590-05-5MW1046.32FormulaC52H83N7O13S
CAS number
1160590-05-5
Molecular weight
1046.32
Formula
C52H83N7O13S
Solubility
DMSO ： 200 mg/mL (191·15 mM; Need ultrasonic)
InChIKey
BXTJCSYMGFJEID-XMTADJHZSA-N
Catalogue number
GC68929
Brand
GLPBIO
Computed properties PubChem CID 86278355 · XLogP 1.4 · TPSA 301 Ų · H-bond donors 5
XLogP
1.4
TPSA
301 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
31
Heavy atoms
73

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)CCCCCN3C(=O)CC(C3=O)SC[C@@H](C(=O)O)N

Computed descriptors from PubChem (CID 86278355), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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