Name: CL2 Linker
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212667546
Cas No:2270986-66-6
常用名:CL2 Linker
IUPAC:tert-butyl N-[(5S)-5-[(2S)-2-[1-(4-{[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]methyl}-1H-1,2,3-triazol-1-yl)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido]-3-phenylpropanamido]-5-{[4-({[(2-{[(3-hydroxy-2-oxopropoxy)carbonyl](methyl)amino}ethyl)(methyl)carbamoyl]oxy}methyl)phenyl]carbamoyl}pentyl]carbamate
IUPAC:tert-butyl N-[(5S)-5-[(2S)-2-[1-(4-{[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]methyl}-1H-1,2,3-triazol-1-yl)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amido]-3-phenylpropanamido]-5-{[4-({[(2-{[(3-hydroxy-2-oxopropoxy)carbonyl](methyl)amino}ethyl)(methyl)carbamoyl]oxy}methyl)phenyl]carbamoyl}pentyl]carbamate
InChI key:BGFZCTPREVDQQQ-YQOHNZFASA-N

分子式:C68H103N11O22
分子量:1426.627
氢键供体数 (HBD):6
氢键受体数 (HBA):21
LogP:1.1099824
SMILES:CN(CCN(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)cc1)C(=O)OCC(=O)CO |c:86|
SMILES:CN(CCN(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)cc1)C(=O)OCC(=O)CO |c:86|

CL2 Linker is a cleavableADC linker. CL2-SN-38 and CL2A-SN-38 are equivalent in drug substitution (~6), cell binding (Kd ~1.2 nM), cytotoxicity (IC50 ~2.2 nM), and serum stability in vitro (t1/2 ~20 hours)[1][2].

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