Name: Piritrexim isethionate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912947
Cas No:79483-69-5
常用名:Piritrexim isethionate
IUPAC:2-hydroxyethane-1-sulfonic acid; 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
IUPAC:2-hydroxyethane-1-sulfonic acid; 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
InChI key:InChIKey=IOEMETRLOWNXGW-UHFFFAOYSA-N

分子式:C19H25N5O6S
分子量:451.5
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OCCS(O)(=O)=O.COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
SMILES:OCCS(O)(=O)=O.COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1

Piritrexim isethionate is a lipid-soluble inhibitor of dihydrofolate reductase (DHFR) that appears to be an active agent in patients with metastatic urothelial cancer when administered as a 5-day, low-dose oral schedule.

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