Name: Atiratecan
Rating: 5 (10 reviews)

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HIT ID:HIT212669373
Cas No:867063-97-6
常用名:Atiratecan
别名:TP300
IUPAC:(10S)-10-ethyl-5,9-dioxo-23-pentyl-8-oxa-4,15,21,23-tetraazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(24),2(14),6(11),12,15,17,19,21-octaen-10-yl 2-(2-amino-N-methylacetamido)acetate
IUPAC:(10S)-10-ethyl-5,9-dioxo-23-pentyl-8-oxa-4,15,21,23-tetraazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1(24),2(14),6(11),12,15,17,19,21-octaen-10-yl 2-(2-amino-N-methylacetamido)acetate
InChI key:CWJSAEZZZABNRI-HKBQPEDESA-N

分子式:C31H34N6O6
分子量:586.649
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:1.0725565
SMILES:CCCCCn1cnc2cccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@@]4(CC)OC(=O)CN(C)C(=O)CN)c5=O)c1c23
SMILES:CCCCCn1cnc2cccc3nc-4c(Cn5c-4cc4c(COC(=O)[C@@]4(CC)OC(=O)CN(C)C(=O)CN)c5=O)c1c23

Atiratecan (TP300) is a prodrug of camptothecin analog CH0793076. Atiratecan shows antitumor activity against both breast cancer resistance protein (BCRP)-positive and -negative xenografts in mouse xenograft models[1]. Atiratecan does not inhibit acetylcholinesterase (AChE) activities.

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