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Chemical structure of MMAF sodium

GC38397

MMAF sodium

Also known as sodium (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate

MMAF sodium (Monomethylauristatin F sodium) is a potent tubulin polymerization inhibitor and is used as a antitumor agent· MMAF sodium (Monomethylauristatin F sodium) is widely used as a cytotoxic component of antibody-drug conjugates (ADCs) such as Vorsetuzumab mafodotin and SGN-CD19A

ChemicalCAS1799706-65-2MW753.94FormulaC39H64N5NaO8
CAS number
1799706-65-2
Molecular weight
753.94
Formula
C39H64N5NaO8
Solubility
DMSO： ≥ 200 mg/mL (265·27 mM)
InChIKey
LGMDBXMBHWLORJ-KMYLZLQDSA-M
Catalogue number
GC38397
Brand
GLPBIO
Computed properties PubChem CID 139035010 · TPSA 169 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
169 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
21
Heavy atoms
53

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)NC.[Na+]

Computed descriptors from PubChem (CID 139035010), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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