Name: Nitro-PDS-Tubulysin M
Rating: 5 (10 reviews)

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HIT ID:HIT212668159
Cas No:1941168-69-9
常用名:Nitro-PDS-Tubulysin M
IUPAC:(2R)-2-{[(1S,2S)-1-{[(1R,3R)-1-(acetyloxy)-1-(4-{[(2R,4S)-4-carboxy-4-methyl-1-phenylbutan-2-yl]carbamoyl}-1,3-thiazol-2-yl)-4-methylpentan-3-yl](methyl)carbamoyl}-2-methylbutyl]carbamoyl}-1-methyl-1-{[4-({[(2R)-2-[(6-nitropyridin-3-yl)disulfanyl]propoxy]carbonyl}amino)phenyl]methyl}piperidin-1-ium
IUPAC:(2R)-2-{[(1S,2S)-1-{[(1R,3R)-1-(acetyloxy)-1-(4-{[(2R,4S)-4-carboxy-4-methyl-1-phenylbutan-2-yl]carbamoyl}-1,3-thiazol-2-yl)-4-methylpentan-3-yl](methyl)carbamoyl}-2-methylbutyl]carbamoyl}-1-methyl-1-{[4-({[(2R)-2-[(6-nitropyridin-3-yl)disulfanyl]propoxy]carbonyl}amino)phenyl]methyl}piperidin-1-ium
InChI key:FVZABGIKJSSIQM-KDOZOHQXSA-O

分子式:C54H73N8O11S3
分子量:1106.4
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:4.806542
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(NC(=O)OC[C@@H](C)SSc2ccc(nc2)[N+]([O-])=O)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N+]1(C)Cc1ccc(NC(=O)OC[C@@H](C)SSc2ccc(nc2)[N+]([O-])=O)cc1)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C

Nitro-PDS-Tubulysin M, an ADC (Antibody-Drug Conjugate) drug-linker conjugate, exhibits potent antitumor activity. It employs Tubulysin M, a tubulin polymerization inhibitor, connected through the Nitro-PDS ADC linker.

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