MMAF Hydrochloride | Monomethylauristatin F Hydrochloride | CAS 1415246-68-2

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HIT ID:HIT212672576
Cas No:1415246-68-2
常用名:MMAF Hydrochloride
别名:Monomethylauristatin F Hydrochloride
IUPAC:(2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-N,3-dimethyl-2-[(2S)-3-methyl-2-(methylamino)butanamido]butanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid hydrochloride
IUPAC:(2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-N,3-dimethyl-2-[(2S)-3-methyl-2-(methylamino)butanamido]butanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid hydrochloride
InChI key:BUPKFQQDMNUXOY-KMYLZLQDSA-N

分子式:C39H66ClN5O8
分子量:768.43
氢键供体数 (HBD):4
氢键受体数 (HBA):9
LogP:1.2329338
SMILES:Cl.[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
SMILES:Cl.[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

MMAF Hydrochloride is widely used as a cytotoxic component of antibody-drug conjugates (ADCs) such as Vorsetuzumab mafodotin and SGN-CD19A. MMAF Hydrochloride is an effective tubulin polymerization inhibitor and is used as an antitumor compound.

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