Name: Mc-MMAE
Rating: 5 (10 reviews)

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HIT ID:HIT212667983
Cas No:863971-24-8
常用名:Mc-MMAE
别名:马来酰亚胺基己酰-单甲基澳瑞他汀 E, Maleimidocaproyl-monomethylauristatin E
别名:马来酰亚胺基己酰-单甲基澳瑞他汀 E, Maleimidocaproyl-monomethylauristatin E
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-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)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylhexanamide
InChI key:UGJOTJHSQWBROP-AXJCKIDNSA-N

分子式:C49H78N6O10
分子量:911.195
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:3.8272269
SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)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:60|
SMILES:CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)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:60|

Mc-MMAE (Maleimidocaproyl-monomethylauristatin E) 是保护基团 (马来酰亚氨基己酰) 与 MMAE 共轭连接得到的化合物。它是微管蛋白抑制剂，可用于偶联抗体。

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