Name: MAC glucuronide α-hydroxy lactone-linked SN-38
Rating: 5 (10 reviews)

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HIT ID:HIT212668354
Cas No:2246380-70-9
常用名:MAC glucuronide α-hydroxy lactone-linked SN-38
常用名:MAC glucuronide α-hydroxy lactone-linked SN-38
IUPAC:(2S,3S,4S,5R,6S)-6-[4-({[({[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy}methyl)(2-methanesulfonylethyl)carbamoyl]oxy}methyl)-2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-methylpropanamido]acetamido}phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
IUPAC:(2S,3S,4S,5R,6S)-6-[4-({[({[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy}methyl)(2-methanesulfonylethyl)carbamoyl]oxy}methyl)-2-{2-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-methylpropanamido]acetamido}phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI key:NHFWTJBKZBYDGH-GVAVQZEZSA-N

分子式:C50H54N6O20S
分子量:1091.06
氢键供体数 (HBD):6
氢键受体数 (HBA):19
LogP:-2.646229
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OCN(CCS(C)(=O)=O)C(=O)OCc4ccc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)c(NC(=O)CN(C)C(=O)CCN5C(=O)C=CC5=O)c4)c3=O)-c2nc2ccc(O)cc12 |c:63|
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OCN(CCS(C)(=O)=O)C(=O)OCc4ccc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)c(NC(=O)CN(C)C(=O)CCN5C(=O)C=CC5=O)c4)c3=O)-c2nc2ccc(O)cc12 |c:63|

MAC glucuronide α-hydroxy lactone-linked SN-38 (Topoisomerase I inhibitor) is a stabilized lactone MAC glucuronide α-hydroxy lactone-linked SN-38 drug linker. MAC glucuronide α-hydroxy lactone-linked SN-38 is cytotoxic across L540cy cells and Ramos cells with IC50 values of 99 and 105 ng/mL, respectively[1].

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