CAS 156054-85-2|Thymine-d4-1

Introduction：Basic information about CAS 156054-85-2|Thymine-d4-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Thymine-d4-1 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Thymine-d4-1
CAS Number	156054-85-2	Molecular Weight	130.13800
Density	1.266g/cm3	Boiling Point	/
Molecular Formula	C₅H₂D₄N₂O₂	Melting Point	325-327ºC(lit.)
MSDS	ChineseUSA	Flash Point	/

Names

Name	6-deuterio-5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
Synonym	More Synonyms

Thymine-d4-1 BiologicalActivity

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.

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.

Chemical & Physical Properties

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
InChIKey	RWQNBRDOKXIBIV-MZCSYVLQSA-N
SMILES	Cc1c[nH]c(=O)[nH]c1=O

Safety Information

RIDADR	NONH for all modes of transport
WGK Germany	3

Synonyms

Thymine-methyl-d3-6-d

MFCD01075460

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