Name: MB-VC-MGBA
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214324178
Cas No:932744-62-2
常用名:MB-VC-MGBA
IUPAC:(1S)-3-(5-{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-({2-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]ethyl}amino)-3-methylbutanamido]pentanamido]benzamido}-1H-indole-2-carbonyl)-1-(chloromethyl)-1H,2H,3H-benzo[e]indol-5-yl 4-methylpiperazine-1-carboxylate
IUPAC:(1S)-3-(5-{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-({2-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanamido]ethyl}amino)-3-methylbutanamido]pentanamido]benzamido}-1H-indole-2-carbonyl)-1-(chloromethyl)-1H,2H,3H-benzo[e]indol-5-yl 4-methylpiperazine-1-carboxylate
InChI key:LWUVZRWVARAEMO-MUYWJSLASA-N

分子式:C56H65ClN12O10
分子量:1101.66
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NCCNC(=O)CCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(OC(=O)N1CCN(C)CC1)c1ccccc21 |c:16,@:1|
SMILES:CC(C)[C@H](NCCNC(=O)CCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1C[C@@H](CCl)c2c1cc(OC(=O)N1CCN(C)CC1)c1ccccc21 |c:16,@:1|

MB-VC-MGBA is a potent antitumor drug-linker conjugate for antibody-drug conjugates (ADC), utilizing the minor-groove-binding DNA-alkylating agent (MGBA), connected through the ADC linker MB-VC.

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