1854126-47-8

1854126-47-8 structure
1854126-47-8 structure
  • Name: Desethyl Hydroxychloroquine-d4
  • Chemical Name: Desethyl Hydroxychloroquine-d4
  • CAS Number: 1854126-47-8
  • Molecular Formula: C16H18D4ClN3O
  • Molecular Weight: 311.84
  • Catalog: Signaling Pathways Anti-infection Influenza Virus
  • Create Date: 2021-07-13 17:50:03
  • Modify Date: 2024-01-10 13:23:27
  • Cletoquine-d4 is deuterium labeled Cletoquine. Cletoquine (Desethylhydroxychloroquine) is a major active metabolite of Hydroxychloroquine. Cletoquine is produced in the liver by CYP2D6, CYP3A4, CYP3A5, and CYP2C8 isoenzymes. Cletoquine is also a Chloroquine derivative and has the ability to against the chikungunya virus (CHIKV). Cletoquine has antimalarial effects and has the potential for autoimmune diseases treatment[1][2].

Name Desethyl Hydroxychloroquine-d4
Synonyms Desethyl Hydroxychloroquine-d4
2-({4-[(7-Chloro-4-quinolinyl)amino]pentyl}amino)(2H4)ethanol
Ethan-1,1,2,2-d4-ol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]amino]-
Description Cletoquine-d4 is deuterium labeled Cletoquine. Cletoquine (Desethylhydroxychloroquine) is a major active metabolite of Hydroxychloroquine. Cletoquine is produced in the liver by CYP2D6, CYP3A4, CYP3A5, and CYP2C8 isoenzymes. Cletoquine is also a Chloroquine derivative and has the ability to against the chikungunya virus (CHIKV). Cletoquine has antimalarial effects and has the potential for autoimmune diseases treatment[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[1].
References

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

[2]. Kumar M, et al. Molecular docking studies of chloroquine and its derivatives against P23pro-zbd domain of chikungunya virus: Implication in designing of novel therapeutic strategies. J Cell Biochem. 2019 Oct;120(10):18298-18308.

[3]. Charlier B, et al. Development of a novel ion-pairing HPLC-FL method for the separation and quantification of hydroxychloroquine and its metabolites in whole blood. Biomed Chromatogr. 2018 Aug;32(8):e4258.

[4]. Chhonker YS, et al. Simultaneous quantitation of hydroxychloroquine and its metabolites in mouse blood and tissues using LC-ESI-MS/MS: An application for pharmacokinetic studies. J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Jan 1;1072:320-327.

Density 1.2±0.1 g/cm3
Boiling Point 514.7±50.0 °C at 760 mmHg
Molecular Formula C16H18D4ClN3O
Molecular Weight 311.84
Flash Point 265.1±30.1 °C
Exact Mass 311.170258
LogP 2.60
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.623