Name: Nemorubicin HCL
Rating: 5 (10 reviews)

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HIT ID:HIT218852241
Cas No:108943-08-4
常用名:Nemorubicin HCL
IUPAC:(8S,10S)-6,8,11-trihydroxy-10-{[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy}-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
IUPAC:(8S,10S)-6,8,11-trihydroxy-10-{[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy}-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
InChI key:DSXDXWLGVADASF-QQFKZXDBSA-N

分子式:C32H38ClNO13
分子量:680.1
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CO[C@@H]1CN(CCO1)[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O
SMILES:Cl.CO[C@@H]1CN(CCO1)[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O

Nemorubicin HCL is the salt form of Nemorubicin, also known as PNU152243A, a doxorubicin derivative that differs significantly from its parent drug in terms of spectrum of antitumor activity, metabolism and toxicity profile. The drug is active on tumors resistant to alkylating agents, topoisomerase II inhibitors and platinum derivatives. It works primarily through topoisomerase I inhibition. Of note, Nemorubicin is active in cells with upregulation of the nucleotide excision repair (NER) pathway, where current therapies fail. Nemorubicin is biotransformed in the liver into cytotoxic metabolites that may further contribute to render this drug highly active against primary liver tumors or liver metastases.

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