MXA

6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
Identifiers	6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
Formula	C₁₇ H₁₉ N₅ O₂
Molecular Weight	325.365
Type	NON-POLYMER
Isomeric SMILES	Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC
InChI	InChI=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)
InChIKey	VJXSSYDSOJBUAV-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	17

Drug Info: DrugBank

DrugBank ID	DB03695
Name	Piritrexim
Groups	investigational
Description	Piritrexim 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 Piritrexim isethionate
Categories	Antineoplastic Agents Enzyme Inhibitors Folic Acid Antagonists
CAS number	72732-56-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydrofolate reductase	MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...	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