CAS 72560-60-2|Cholestenone-d5

Introduction：Basic information about CAS 72560-60-2|Cholestenone-d5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Cholestenone-d5 BiologicalActivity
3. Chemical & Physical Properties

Common Name	Cholestenone-d5
CAS Number	72560-60-2	Molecular Weight	389.67
Density	/	Boiling Point	/
Molecular Formula	C₂₇H₃₉D₅O	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	4-cholesten-3-one-2,2,4,6,6-d5

Cholestenone-d5 BiologicalActivity

Description	Cholestenone-d5 is the deuterium labeled Cholestenone. Cholestenone (4-Cholesten-3-one), the intermediate oxidation product of cholesterol, is metabolized primarily in the liver. Cholestenone is highly mobile in membranes and influences cholesterol flip-flop and efflux. Cholestenone may cause long-term functional defects in cells[1][2][3].
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]. Rosenheim O, et al. The mechanism of coprosterol formation in vivo: 1. Cholestenone as an intermediate. Biochem J. 1943 Oct;37(4):513-4. [3]. Neuvonen M, et, al. Enzymatic oxidation of cholesterol: properties and functional effects of cholestenone in cell membranes. PLoS One. 2014 Aug 26;9(8):e103743.

Description

Cholestenone-d5 is the deuterium labeled Cholestenone. Cholestenone (4-Cholesten-3-one), the intermediate oxidation product of cholesterol, is metabolized primarily in the liver. Cholestenone is highly mobile in membranes and influences cholesterol flip-flop and efflux. Cholestenone may cause long-term functional defects in cells[1][2][3].

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]. Rosenheim O, et al. The mechanism of coprosterol formation in vivo: 1. Cholestenone as an intermediate. Biochem J. 1943 Oct;37(4):513-4.

[3]. Neuvonen M, et, al. Enzymatic oxidation of cholesterol: properties and functional effects of cholestenone in cell membranes. PLoS One. 2014 Aug 26;9(8):e103743.

Chemical & Physical Properties

Molecular Formula	C₂₇H₃₉D₅O
Molecular Weight	389.67
Exact Mass	347.32400
PSA	17.07000
LogP	6.57070
InChIKey	NYOXRYYXRWJDKP-WXOWQUKUSA-N
SMILES	CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

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