Name: MP-PEG8-Val-Lys-Gly-7-MAD-MDCPT
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT217584684
Cas No:
常用名:MP-PEG8-Val-Lys-Gly-7-MAD-MDCPT
IUPAC:N-[(1S)-1-{[(1S)-5-amino-1-{[(1R)-1-({[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,21}]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]methyl}carbamoyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
IUPAC:N-[(1S)-1-{[(1S)-5-amino-1-{[(1R)-1-({[(5S)-5-ethyl-5-hydroxy-6,10-dioxo-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.0^{2,11}.0^{4,9}.0^{15,23}.0^{17,21}]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaen-14-yl]methyl}carbamoyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]-1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
InChI key:BBWAOKKZKYVQIA-FLPCTWMVSA-N

分子式:C62H87N9O21
分子量:1294.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CNC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)C(C)C)c3Cn1c2=O
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CNC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O)C(C)C)c3Cn1c2=O

MP-PEG8-Val-Lys-Gly-7-MAD-MDCPT为喜树碱-接头化合物，属于抗体偶联活性分子（drug-linker conjugate for ADC）部分。该化合物在癌症及自身免疫性疾病研究中显示出研究潜力。

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