Mc-MMAD | CAS 1401963-15-2

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HIT ID:HIT212667982
Cas No:1401963-15-2
常用名:Mc-MMAD
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-2-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylhexanamide
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-2-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylhexanamide
InChI key:OZUQLKHIIRUJRZ-PGBUMTRMSA-N

分子式:C51H77N7O9S
分子量:964.28
氢键供体数 (HBD):2
氢键受体数 (HBA):10
LogP:4.9980364
SMILES:[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C |c:65|
SMILES:[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C |c:65|

Mc-MMAD是保护基团Maleimidocaproyl(Mc)修饰的MMAD(Monomethyl auristatin D)。MMAD是一种高效的tubulin微管蛋白抑制剂，能抑制癌细胞增殖，常用作ADC合成中的毒性有效载荷。

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