Chemical Component Summary

Name6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
Identifiers6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
FormulaC17 H19 N5 O2
Molecular Weight325.365
TypeNON-POLYMER
Isomeric SMILESCc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC
InChIInChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
InChIKeyVJXSSYDSOJBUAV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB03695 
NamePiritrexim
Groups investigational
DescriptionPiritrexim has been used in trials studying the treatment of Bladder Cancer, Urethral Cancer, and Transitional Cell Cancer of the Renal Pelvis and Ureter.
Synonyms
  • Piritrexim isethionate
  • Piritrexim
Categories
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Folic Acid Antagonists
CAS number72732-56-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydrofolate reductaseMVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL7492
PubChem 54369
ChEMBL CHEMBL7492
CCDC/CSD GIBHUU