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432545-62-5

432545-62-5 structure
432545-62-5 structure
  • Name: 7-Hydroxymethotrexate-d3
  • Chemical Name: N-(4-{[(2,4-Diamino-7-oxo-1,7-dihydro-6-pteridinyl)methyl][(2H3)methyl]amino}benzoyl)glutamic acid
  • CAS Number: 432545-62-5
  • Molecular Formula: C20H19D3N8O6
  • Molecular Weight: 473.45700
  • Catalog: Research Areas Metabolic Disease
  • Create Date: 2017-04-15 14:19:40
  • Modify Date: 2024-01-14 22:26:32
  • 7-Hydroxymethotrexate-d3 is the deuterium labeled 7-Hydroxymethotrexate. 7-Hydroxymethotrexate is a major metabolite of Methotrexate (MTX; HY-14519). Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis[1][2].

Name N-(4-{[(2,4-Diamino-7-oxo-1,7-dihydro-6-pteridinyl)methyl][(2H3)methyl]amino}benzoyl)glutamic acid
Synonyms 7-Hydroxy Methotrexate-d3
Description 7-Hydroxymethotrexate-d3 is the deuterium labeled 7-Hydroxymethotrexate. 7-Hydroxymethotrexate is a major metabolite of Methotrexate (MTX; HY-14519). Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis[1][2].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[3].
References

[1]. L Fahrig, et al. Pharmacokinetics of methotrexate (MTX) and 7-hydroxymethotrexate (7-OH-MTX) in rats and evidence for the metabolism of MTX to 7-OH-MTX. Cancer Chemother Pharmacol. 1989;23(3):156-60.  

[2]. Ping Guo, et al. Determination of methotrexate and its major metabolite 7-hydroxymethotrexate in mouse plasma and brain tissue by liquid chromatography-tandem mass spectrometry. J Pharm Biomed Anal. 2007 Apr 11;43(5):1789-95.  

[3]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223.  

Molecular Formula C20H19D3N8O6
Molecular Weight 473.45700
Exact Mass 473.18500
PSA 231.24000
LogP 0.46390