Name: CL2A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667547
Cas No:1846605-04-6
常用名:CL2A
IUPAC:{4-[(2S)-6-amino-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)hexanamido]phenyl}methyl hydrogen carbonate
IUPAC:{4-[(2S)-6-amino-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)hexanamido]phenyl}methyl hydrogen carbonate
InChI key:ROPNJQCXVPLRBE-DBSIFAAZSA-N

分子式:C51H79N9O18
分子量:1106.238
氢键供体数 (HBD):6
氢键受体数 (HBA):20
LogP:-3.2049198
SMILES:NCCCC[C@H](NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)nn1)C(=O)Nc1ccc(COC(O)=O)cc1 |c:56|
SMILES:NCCCC[C@H](NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)nn1)C(=O)Nc1ccc(COC(O)=O)cc1 |c:56|

CL2A is a pH-sensitive, cleavable PEG8- and triazole-containing PABC-peptide-mc linker, characterized by its ability to induce a bystander effect. It forms a disulfide bond with an antibody at a cysteine residue. Labetuzumab govitecan utilizes this linker for its drug conjugation[1].

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