TCO-PEG4-VC-PAB-MMAE | CAS 2758671-45-1

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HIT ID:HIT217583171
Cas No:2758671-45-1
常用名:TCO-PEG4-VC-PAB-MMAE
IUPAC:{4-[5-(carbamoylamino)-2-[2-(1-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-amido)-3-methylbutanamido]pentanamido]phenyl}methyl N-{1-[(1-{[1-(2-{2-[(1-hydroxy-1-phenylpropan-2-yl)carbamoyl]-1-methoxy-2-methylethyl}pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)carbamoyl]-2-methylpropyl}-N-methylcarbamate
IUPAC:{4-[5-(carbamoylamino)-2-[2-(1-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}-3,6,9,12-tetraoxapentadecan-15-amido)-3-methylbutanamido]pentanamido]phenyl}methyl N-{1-[(1-{[1-(2-{2-[(1-hydroxy-1-phenylpropan-2-yl)carbamoyl]-1-methoxy-2-methylethyl}pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)carbamoyl]-2-methylpropyl}-N-methylcarbamate
InChI key:RCUWIJNSWOFTSK-UHFFFAOYSA-N

分子式:C78H127N11O19
分子量:1522.932
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(C)C(O)c1ccccc1)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)CCOCCOCCOCCOCCNC(=O)OC2CCCC=CCC2)C(C)C)cc1)C(C)C
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)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)CCOCCOCCOCCOCCNC(=O)OC2CCCC=CCC2)C(C)C)cc1)C(C)C

TCO-PEG4-VC-PAB-MMAE为一种抗体偶联药物（ADC）中的活性药物连接子部分，融合了可降解的ADC连接子（TCO-PEG4-VC-PA）与有效的微管蛋白抑制剂MMAE。

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