Name: TCO-PEG3-Glu-Val-Cit-PABC-MMAF
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218887198
Cas No:2862795-63-7
常用名:TCO-PEG3-Glu-Val-Cit-PABC-MMAF
IUPAC:4-[(1-{[4-(carbamoylamino)-1-[(4-{[({1-[(1-{[1-(2-{2-[(1-carboxy-2-phenylethyl)carbamoyl]-1-methoxy-2-methylethyl}pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)carbamoyl]-2-methylpropyl}(methyl)carbamoyl)oxy]methyl}phenyl)carbamoyl]butyl]carbamoyl}-2-methylpropyl)carbamoyl]-4-(2-{2-[2-(2-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}acetamido)butanoic acid
IUPAC:4-[(1-{[4-(carbamoylamino)-1-[(4-{[({1-[(1-{[1-(2-{2-[(1-carboxy-2-phenylethyl)carbamoyl]-1-methoxy-2-methylethyl}pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)carbamoyl]-2-methylpropyl}(methyl)carbamoyl)oxy]methyl}phenyl)carbamoyl]butyl]carbamoyl}-2-methylpropyl)carbamoyl]-4-(2-{2-[2-(2-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}acetamido)butanoic acid
InChI key:YZKZVYQDQIJFOC-UHFFFAOYSA-N

分子式:C80H126N12O22
分子量:1607.95
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(O)=O)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)COCCOCCOCCNC(=O)OC2CCCC=CCC2)C(C)C)cc1)C(C)C
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(O)=O)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)COCCOCCOCCNC(=O)OC2CCCC=CCC2)C(C)C)cc1)C(C)C

TCO-PEG3-Glu-Val-Cit-PABC-MMAF 是一种药物-连接子结合体,包括点击对TCO、链接子PEG、可裂解连接子Glu-Val-Cit、PBAC基团以及细胞毒素MMAF.该化合物可用于制备双药ADC.

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