Vortioxetine free base
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MedKoo CAT#: 564744

CAS#: 508233-74-7 (free base)

Description: Vortioxetine, also known as Lu AA21004, is an atypical antidepressant, and was approved in 2013 by the U.S. FDA for the treatment of major depressive disorder (MDD) in adults. Vortioxetine is a so-called "serotonin modulator and stimulator." It has been shown to possess the following pharmacological actions: Serotonin transporter (SERT) blocker (i.e. serotonin reuptake inhibitor (SRI)) — Ki (binding affinity) = 1.6 nM, IC50 = 5.4 nM; Norepinephrine transporter (NET) blocker — Ki = 113 nM; 5-HT1A receptor high-efficacy partial agonist/near-full agonist — Ki = 15 nM, IA = 80%; 5-HT1B receptor partial agonist — Ki = 33 nM; 5-HT1D receptor antagonist — Ki = 54 nM; 5-HT3A receptor antagonist — Ki = 3.7 nM; 5-HT7 receptor antagonist — Ki = 19 nM.


Chemical Structure

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Vortioxetine free base
CAS# 508233-74-7 (free base)

Theoretical Analysis

MedKoo Cat#: 564744
Name: Vortioxetine free base
CAS#: 508233-74-7 (free base)
Chemical Formula: C18H22N2S
Exact Mass: 298.1504
Molecular Weight: 298.45
Elemental Analysis: C, 72.44; H, 7.43; N, 9.39; S, 10.74

Price and Availability

Size Price Availability Quantity
500.0mg USD 550.0 2 Weeks
1.0g USD 950.0 2 Weeks
2.0g USD 1650.0 2 Weeks
5.0g USD 3450.0 2 Weeks
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Related CAS #: 960203-27-4 (HBr)   508233-74-7 (free base)   1253056-29-9 (lactate)    

Synonym: LuAA21004; LuAA 21004; LuAA-21004; Lu-AA21004; Lu AA21004; AA21004; AA-21004; AA 21004; Vortioxetine; Brintellix.

IUPAC/Chemical Name: 1-[2-(2,4-Dimethylphenyl)sulfanylphenyl]piperazine

InChi Key: YQNWZWMKLDQSAC-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: CC1=CC=C(SC2=CC=CC=C2N3CCNCC3)C(C)=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 298.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Spieler D, Namendorf C, Namendorf T, Uhr M. abcb1ab p-glycoprotein is involved in the uptake of the novel antidepressant vortioxetine into the brain of mice. J Psychiatr Res. 2019 Feb;109:48-51. doi: 10.1016/j.jpsychires.2018.11.009. Epub 2018 Nov 10. PubMed PMID: 30476727.

2: Gonda X, Sharma SR, Tarazi FI. Vortioxetine: a novel antidepressant for the treatment of major depressive disorder. Expert Opin Drug Discov. 2019 Jan;14(1):81-89. doi: 10.1080/17460441.2019.1546691. Epub 2018 Nov 20. PubMed PMID: 30457395.

3: Marchiafava M, Piccirilli M, Bedetti C, Baglioni A, Menna M, Elisei S. Effectiveness of serotonergic drugs in the management of problem behaviors in patients with neurodevelopmental disorders. Psychiatr Danub. 2018 Nov;30(Suppl 7):644-647. PubMed PMID: 30439864.