CAS Number508233-74-7
Synonyms1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine; Lu AA 21004; Vortioxetine; 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine; 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine; Lu AA21004
Molecular FormulaC18H22N2S
Molecular Weight298.446
Purity98%
Density1.2±0.1 g/cm3
Boiling Point424.8±45.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 508233-74-7 |
| Catalog No. | 2A-1166712 |
| Chinese Name | 沃替西汀 |
| Synonyms | 1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine; Lu AA 21004; Vortioxetine; 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine; 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine; Lu AA21004 |
| Molecular Formula | C18H22N2S |
| Molecular Weight | 298.446 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 424.8±45.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| Application | Vortioxetine is an inhibitor of 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptors and serotonin transporter (SERT) with Ki values of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM respectively. |
| HTC | 2933599090 |
| PubChem ID | 14942974 |
| SMILES | Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1 |
| InChI | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
| InChI Key | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
| Use of | Vortioxetine is a inhibitor of 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT, with Ki values of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM, respectively. Properties Name vortioxetine Synonym More Synonyms Vortioxetine Biological Activity Description Vortioxetine is a inhibitor of 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT, with Ki values of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM, respectively. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter Research Areas >> Neurological Disease 5-HT1A Receptor:15 nM (Ki) 5-HT1B Receptor:33 nM (Ki) 5-HT3A Receptor:3.7 nM (Ki) Human 5-HT7 Receptor:19 nM (Ki) SERT:1.6 nM (Ki) References [1]. Bang-Andersen B, Ruhland T, J?rgensen M, Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem. 2011 May 12;54(9):3206-21. [3]. Theunissen EL, Street D, H?jer AM, A randomized trial on the acute and steady-state effects of a new antidepressant, vortioxetine (Lu AA21004), on actual driving and cognition. Clin Pharmacol Ther. 2013 Jun;93(6):493-501. [5]. M?rk A, Pehrson A, Brennum LT, Pharmacological effects of Lu AA21004: a novel multimodal compound for the treatment of major depressive disorder. J Pharmacol Exp Ther. 2012 Mar;340(3):666-75. Chemical & Physical Properties Molecular Formula C18H22N2S Exact Mass 298.150360 PSA 40.57000 Index of Refraction 1.643 InChIKey YQNWZWMKLDQSAC-UHFFFAOYSA-N Safety Information Hazard Codes Xi HS Code 2933599090 Synthetic Route Vortioxetine (L... CAS#:960203-27-4 Vortioxetine CAS#:508233-74-7 Piperazine CAS#:110-85-0 1-[(2-Bromophen... CAS#:960203-41-2 Vortioxetine CAS#:508233-74-7 Piperazine CAS#:110-85-0 1-Bromo-2-iodob... CAS#:583-55-1 2,4-Dimethylthi... CAS#:13616-82-5 Vortioxetine CAS#:508233-74-7 Precursor & DownStream Precursor 5 CAS#:960203-27-4 Vortioxetine (L... CAS#:110-85-0 Piperazine CAS#:960203-41-2 1-[(2-Bromophen... CAS#:583-55-1 1-Bromo-2-iodob... DownStream 1 CAS#:960203-27-4 Vortioxetine (L... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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