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Substance Name: Piritrexim [INN]
RN: 72732-56-0
UNII: MK2A783ZUT
InChIKey: VJXSSYDSOJBUAV-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Mutation Data

Molecular Formula

  • C17-H19-N5-O2

Molecular Weight

  • 325.37
 
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Names and Synonyms

Name of Substance

  • Piritrexim
  • Piritrexim [INN]

Synonyms

  • 2,4-Diamino-5-methyl-6-(2,5-dimethoxybenzyl)pyrido(2,3-d)pyrimidine
  • 6-((2,5-Dimethoxyphenyl)methyl)-5-methylpyrido(2,3-d)pyrimidine-2,4-diamine
  • BRN 5768301
  • BW 301U
  • Piritrexim
  • Piritrexima
  • Piritrexima [Spanish]
  • Piritrexime
  • Piritrexime [French]
  • Piritreximum
  • Piritreximum [Latin]
  • UNII-MK2A783ZUT

Systematic Name

  • Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 72732-56-0

FDA UNII

  • MK2A783ZUT

System Generated Number

  • 0072732560

Structure Descriptors

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

Smiles

c12c(nc(nc1ncc(c2C)Cc1c(ccc(c1)OC)OC)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 480mg/kg (480mg/kg)   Proceedings of the American Association for Cancer Research. Vol. 25, Pg. 310, 1984.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   European Patent Application. Vol. #0021292,
rat LD50 oral 1168mg/kg (1168mg/kg)   Drugs of the Future. Vol. 11, Pg. 140, 1986.
rat LDLo intravenous 50mg/kg (50mg/kg)   Proceedings of the American Association for Cancer Research. Vol. 25, Pg. 310, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.13 (none)   EXP
Water Solubility 132 mg/L 25 EST
Vapor Pressure 1.06E-10 mm Hg 25 EST
Henry's Law Constant 5.69E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.49E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.