1246817-57-1

1246817-57-1 structure
1246817-57-1 structure
  • Name: Hydroxy Bosentan-d6
  • Chemical Name: 4-[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
  • CAS Number: 1246817-57-1
  • Molecular Formula: C27H23D6N5O7S
  • Molecular Weight: 573.65
  • Catalog: Research Areas Cardiovascular Disease
  • Create Date: 2017-10-08 05:38:50
  • Modify Date: 2024-01-10 00:30:26
  • Hydroxy Bosentan-d6 is deuterium labeled Hydroxy bosentan. Hydroxy bosentan (Ro 48-5033) is a primary metabolite of Bosentan (BOS) metabolized by the cytochrome P450 system in the liver. Ro 48-5033 assists BOS pharmacologically, retaining 10%-20% activities[1].

Name 4-[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Synonyms Ro 48-8634-d6
4-[2-Hydroxy-1,1-(dimethyl-d6)ethyl]-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide
Ro 48-5033-d6
Hydroxy Bosentan-d6
Description Hydroxy Bosentan-d6 is deuterium labeled Hydroxy bosentan. Hydroxy bosentan (Ro 48-5033) is a primary metabolite of Bosentan (BOS) metabolized by the cytochrome P450 system in the liver. Ro 48-5033 assists BOS pharmacologically, retaining 10%-20% activities[1].
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[1].
References

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

[2]. Chen M, et al. Comparison of the inhibitory effect of ketoconazole, voriconazole, fluconazole, and itraconazoleon the pharmacokinetics of bosentan and its corresponding active metabolite hydroxy bosentanin rats. Xenobiotica. 2019 Jul 3:1-8.

Molecular Formula C27H23D6N5O7S
Molecular Weight 573.65
Exact Mass 573.21600
PSA 174.26000
LogP 4.33010