For research use only. Not for therapeutic Use.
rel-Sertraline-d3 (hydrochloride) is the deuterium labeled Sertraline hydrochloride. Sertraline hydrochloride is an antidepressant of the selective serotonin reuptake inhibitor (SSRI) class. Sertraline hydrochloride is researched for a number of diseases, such as major depressive disorder and obsessive[1][2].
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].
| CAS Number | 1330180-66-9 |
| Synonyms | (1S,4R)-4-(3,4-dichlorophenyl)-N-(trideuteriomethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride |
| Molecular Formula | C17H15D3Cl3N |
| Purity | ≥95% |
| InChI | InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17+;/m1./s1/i1D3; |
| InChIKey | BLFQGGGGFNSJKA-KSGPAQBCSA-N |
| SMILES | CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl |
| Reference | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Murdoch D, et al. Sertraline. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in depression and obsessive-compulsive disorder. Drugs. 1992 Oct;44(4):604-24. [3]. Koe BK. Preclinical pharmacology of sertraline: a potent and specific inhibitor of serotonin reuptake. J Clin Psychiatry. 1990 Dec;51 Suppl B:13-7. [4]. Xiang X, et, al. Anti-depressive Effect of Arctiin by Attenuating Neuroinflammation via HMGB1/TLR4- And TNF-α/TNFR1-mediated NF-κB Activation. ACS Chem Neurosci. 2020 Jul 1. [5]. Lei M, et, al. Sex Differences in Antidepressant Effect of Sertraline in Transgenic Mouse Models. Front Cell Neurosci. 2019 Feb 1; 13:24. |
