Vortioxetine (AA21004)

Alias: LuAA21004; AA-21004; Lu-AA21004; AA21004;Lu AA21004; AA21004; AA 21004; Vortioxetine; vortioxetine hydrobromide; Brintellix

Cat No.:V4425 Purity: ≥98%

COA Product Data Instructions for use SDS

Vortioxetine (Lu-AA21004; Lu-AA-21004; Trintellix and Brintellix) is an approved anti-depressant drug acting as an SSRI (selective serotonin reuptake inhibitor) and serotonin receptor modulator.

Vortioxetine (AA21004) Chemical Structure CAS No.: 508233-74-7
Product category: 5-HT Receptor

This product is for research use only, not for human use. We do not sell to patients.

Size	Price	Stock	Qty
10mg
25mg
50mg
100mg
250mg
500mg
1g
Other Sizes

ADD TO CART CHECKOUT BULK INQUIRY

1-708-310-1919 sales@invivochem.com

Other Forms of Vortioxetine (AA21004):

Official Supplier of:

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

Vortioxetine (Lu-AA21004; Lu-AA-21004; Trintellix and Brintellix) is an approved anti-depressant drug acting as an SSRI (selective serotonin reuptake inhibitor) and serotonin receptor modulator. It is a multi-modal serotonergic agent with IC50 values of 15 nM, 33 nM, 3.7 nM, 19 nM, and 1.6 nM, respectively, that inhibits the 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT. The FDA authorized vortioxetine, an atypical antidepressant, in 2013 for the treatment of major depressive disorder (MDD) in adults. Vortioxetine is a so-called 'serotonin modulator and stimulator'.

Biological Activity I Assay Protocols (From Reference)

Targets

sPLA2 ( Ki = 15 nM ); 5-HT_3A Receptor ( Ki = 3.7 nM ); Human 5-HT₇ Receptor ( Ki = 19 nM ); SERT ( Ki = 1.6 nM )

ln Vitro

In vitro activity: Vortioxetine (Compound 5m) is a multimodal serotonergic agent that inhibits SERT with values of 1.6 nM, 33 nM, 3.7 nM, 19 nM, and 5-HT_1A, 5-HT_1B, and 5-HT₇ receptors, respectively. Vortioxetine exhibits strong suppression of SERT, partial agonist characteristics at 5-HT_1B and 5-HT_1A receptors, antagonistic properties at 5-HT_3A and 5-HT₇ receptors, and agonistic properties at 5-HT_1A receptors[1]. Using a whole-cell cAMP-based assay, vortioxetine is a partial h5-HT_1B receptor agonist with an EC50 of 460 nM and intrinsic activity of 22%. In vitro whole-cell cAMP assay, vortioxetine binds to the r5-HT₇ receptor with a K_i value of 200 nM and is a functional antagonist at the r5-HT₇ receptor with an IC50 of 2 μM[5].

ln Vivo

Vortioxetine (Lu AA21004) is a 5-HT₃ receptor antagonist that binds to the r5-HT_1B receptor and rSERT (ED50 = 3.2 and 0.4 mg/kg, respectively) when administered subcutaneously[6]. After 21 days of treatment, vortioxetine dramatically boosts immature granule cell maturation in the sub granular zone of the dentate gyrus of the hippocampus as well as cell survival and proliferation[3]. Cognitive or psychomotor impairment is not brought on by vortioxetine[4].

Enzyme Assay

Vortioxetine (Compound 5m) is a multimodal serotonergic agent that inhibits SERT with values of 1.6 nM, 33 nM, 3.7 nM, 19 nM, and 5-HT1A, 5-HT1B, and 5-HT7 receptors, respectively. Vortioxetine exhibits strong suppression of SERT as well as antagonistic effects at 5-HT3A and 5-HT7 receptors, partial agonist effects at 5-HT1B receptors, and agonistic effects at 5-HT1A receptors.

Cell Assay

Vortioxetine is a partial h5-HT1B receptor agonist that, in a whole-cell cAMP-based assay, has an EC50 of 460 nM and an intrinsic activity of 22%. In vitro whole-cell cAMP assay, vortioxetine binds to the r5-HT7 receptor with a Kivalue of 200 nM and is a functional antagonist at the r5-HT7 receptor with an IC50 of 2 μM.

Animal Protocol

Dissolved in 10% hydroxypropyl-β-cyclodextrin; 10 mg/kg; s.c. administration

Rats

References

[1]. 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.

[2]. Antidepressant and anxiolytic potential of the multimodal antidepressant vortioxetine (Lu AA21004) assessed by behavioural and neurogenesis outcomes in mice. Neuropharmacology. 2013 May 28;73C:147-159.

[3]. 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.

[4]. Vortioxetine (Lu AA21004) 5mg in generalized anxiety disorder: results of an 8-week randomized, double-blind, placebo-controlled clinical trial in the United States. Eur Neuropsychopharmacol. 2012 Dec;22(12):858-66.

[5]. 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.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C18H22N2S

Molecular Weight

298.45

Exact Mass

298.15

Elemental Analysis

C, 72.44; H, 7.43; N, 9.39; S, 10.74

CAS #

508233-74-7

Related CAS #

Vortioxetine hydrobromide; 960203-27-4; Vortioxetine-d8; 2140316-62-5; 1253056-29-9 (lactate)

Appearance

Solid powder

SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C

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

Chemical Name

1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

Synonyms

LuAA21004; AA-21004; Lu-AA21004; AA21004;Lu AA21004; AA21004; AA 21004; Vortioxetine; vortioxetine hydrobromide; Brintellix

HS Tariff Code

2934.99.9001

Storage

Powder -20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)

DMSO: ~50 mg/mL

Water: <1 mg/mL

Ethanol: N/A

Solubility (In Vivo)

15% Captisol, pH 9: 10 mg/mL

(Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.3506 mL	16.7532 mL	33.5064 mL
	5 mM	0.6701 mL	3.3506 mL	6.7013 mL
	10 mM	0.3351 mL	1.6753 mL	3.3506 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Mass

Concentration

Volume

Molecular Weight*

Calculate Reset

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

Calculate Reset

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

Calculate Reset

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Calculate Reset

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

% ddH₂O

Calculate Reset

Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05814640	Recruiting	Drug: Vortioxetine Drug: Duloxetine	Depression Sequestra	First Affiliated Hospital of Chongqing Medical University	February 20, 2023	Phase 1 Phase 2
NCT04818099	Recruiting	Drug: Vortioxetine 10 mg Other: Placebo	Radiation Injuries	Sun Yat-Sen Memorial Hospital of Sun Yat-Sen University	October 10, 2020	Phase 3
NCT04301492	Recruiting	Drug: Vortioxetine	Depression	IRCCS San Raffaele Roma	November 20, 2019	Phase 4
NCT02357797	Active Recruiting	Other: Placebo Drug: Vortioxetine	Schizophrenia Negative Symptoms	Northwell Health	February 2016	Phase 4
NCT06025474	Recruiting	Drug: Vortioxetine 20Mg Tab Drug: Sertraline 50 MG	Burning Mouth Syndrome	Federico II University	January 1, 2023	Phase 3

Biological Data

Subchronic effect of Lu AA21004 on extracellular 5-HT in the ventral hippocampus was studied by treating rats for 3 days with Lu AA21004 (5 mg/kg per day s.c., n = 8) or vehicle (Veh, n = 12) using minipumps.

effects of Lu AA21004 (2.3 or 7.8 mg/kg s.c.), imipramine (IMI) (15 mg/kg i.p.) or vehicle (Veh) on the immobility time in the rat forced swim test in FSL and FRL rats.
Effect of Lu AA21004