156054-85-2

156054-85-2 structure
156054-85-2 structure
  • Name: Thymine-d4-1
  • Chemical Name: 6-deuterio-5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
  • CAS Number: 156054-85-2
  • Molecular Formula: C5H2D4N2O2
  • Molecular Weight: 130.13800
  • Create Date: 2018-11-28 15:35:02
  • Modify Date: 2024-01-02 05:41:45
  • Thymine-d4-1 is the deuterium labeled Thymine[1]. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM[2].

Name 6-deuterio-5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
Synonyms Thymine-methyl-d3-6-d
MFCD01075460
Description Thymine-d4-1 is the deuterium labeled Thymine[1]. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM[2].
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[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Tuchman M, et al. Effects of uridine and thymidine on the degradation of 5-fluorouracil, uracil, and thymine by rat liver dihydropyrimidine dehydrogenase. Cancer Res. 1985 Nov;45(11 Pt 1):5553-6.  

Density 1.266g/cm3
Melting Point 325-327ºC(lit.)
Molecular Formula C5H2D4N2O2
Molecular Weight 130.13800
Exact Mass 130.06800
PSA 58.53000
Index of Refraction 1.489
RIDADR NONH for all modes of transport
WGK Germany 3