1356383-38-4

1356383-38-4 structure

Name: Captopril-d3
Chemical Name: 1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-L-(2,5,5-2H3)proline
CAS Number: 1356383-38-4
Molecular Formula: C₉H₁₂D₃NO₃S
Molecular Weight: 220.30
Catalog: Signaling Pathways Metabolic Enzyme/Protease Angiotensin-converting Enzyme (ACE)
Create Date: 2018-06-03 00:37:35
Modify Date: 2024-01-02 09:42:41
Captopril-d3 is deuterium labeled Captopril. Captopril (SQ 14225), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM) and has been widely used for research of hypertension and congestive heart failure. Captopril is also a New Delhi metallo-β-lactamase-1 (NDM-1) inhibitor with an IC50 of 7.9 μM[1][2][3].

Name	1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-L-(2,5,5-2H3)proline
Synonyms	1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-L-(2,5,5-2H3)proline L-Proline-2,5,5-d3, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-

Description	Captopril-d3 is deuterium labeled Captopril. Captopril (SQ 14225), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM) and has been widely used for research of hypertension and congestive heart failure. Captopril is also a New Delhi metallo-β-lactamase-1 (NDM-1) inhibitor with an IC50 of 7.9 μM[1][2][3].
Related Catalog	Research Areas >> Cardiovascular Disease Signaling Pathways >> Metabolic Enzyme/Protease >> Angiotensin-converting Enzyme (ACE)
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]. Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64(11):2263-2268. [3]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35. [4]. Li N, et al. Simplified captopril analogues as NDM-1 inhibitors. Bioorg Med Chem Lett. 2014;24(1):386-389. [5]. Tzakos, A.G., et al., The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett, 2006. 16(19): p. 5084-7. [6]. Song, J.C. and C.M. White, Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet, 2002. 41(3): p. 207-24.

Density	1.3±0.1 g/cm3
Boiling Point	427.0±40.0 °C at 760 mmHg
Molecular Formula	C₉H₁₂D₃NO₃S
Molecular Weight	220.30
Flash Point	212.1±27.3 °C
Exact Mass	220.096100
LogP	0.27
Vapour Pressure	0.0±2.2 mmHg at 25°C
Index of Refraction	1.551

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