Name: Labetuzumab govitecan
Rating: 5 (10 reviews)

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HIT ID:HIT212711241
Cas No:1469876-18-3
常用名:Labetuzumab govitecan
别名:Labetuzumab-SN38, IMMU-130, IMMU130, IMMU 130, hMN14-SN38
别名:Labetuzumab-SN38, IMMU-130, IMMU130, IMMU 130, hMN14-SN38
IUPAC:(2R)-2-amino-3-({1-[(4-{[(1-{26-[2-({[(1S)-4-amino-1-[(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}carbonyl)oxy]methyl}phenyl)carbamoyl]butyl]carbamoyl}methoxy)acetamido]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl}cyclohexyl)methyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)propanoic acid
IUPAC:(2R)-2-amino-3-({1-[(4-{[(1-{26-[2-({[(1S)-4-amino-1-[(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}carbonyl)oxy]methyl}phenyl)carbamoyl]butyl]carbamoyl}methoxy)acetamido]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl}cyclohexyl)methyl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)propanoic acid
InChI key:CBNAAKBWBABMBY-LQCKLLCCSA-N

分子式:C75H102N12O24S
分子量:1587.76
氢键供体数 (HBD):8
氢键受体数 (HBA):27
LogP:-2.4516256
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)CC(SC[C@H](N)C(O)=O)C7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)CC(SC[C@H](N)C(O)=O)C7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12

Labetuzumab govitecan is an anti-CEACAM5/SN-38 antibody-drug conjugate for therapy of refractory or relapsing metastatic colorectal cancer.

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