Name: PNU-EDA-Gly5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322909
Cas No:1957223-28-7
常用名:PNU-EDA-Gly5
别名:PNU-EDA-Gly5
IUPAC:2-amino-N-{[({[({[(2-{[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]formamido}ethyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]methyl}acetamide
IUPAC:2-amino-N-{[({[({[(2-{[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]formamido}ethyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]methyl}acetamide
InChI key:FPNZMZXGKLMJHY-NACPDEOESA-N

分子式:C43H54N8O17
分子量:954.944
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)O[C@@H](C)[C@@]1([H])O[C@]1([H])[C@@H](OC)OCCN21
SMILES:[H][C@]12C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)O[C@@H](C)[C@@]1([H])O[C@]1([H])[C@@H](OC)OCCN21

PNU-EDA-Gly5 is a DNA topoisomerase I inhibitor-based oligo-glycine linker-payload used for the synthesis of antibody-drug conjugates (ADCs). It consists of the DNA topoisomerase I inhibitor PNU-159682 and the linker EDA-Gly5.

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