Vortioxetine , ≥98% , 508233-74-7

CAS NO.：508233-74-7

Empirical Formula: C18H22N2S

Molecular Weight: 298.45

MDL number: MFCD22380814

EINECS: 823-919-6

PRODUCT Properties

• Melting point: 115-117°C
• Boiling point: 424.8±45.0 °C(Predicted)
• Density: 1.16
• storage temp.: -20°C Freezer
• solubility: DMSO (Slightly), Methanol (Slightly)
• pka: 8.85±0.10(Predicted)
• form: Solid
• color: White to Off-White
• 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
• InChIKey: YQNWZWMKLDQSAC-UHFFFAOYSA-N
• SMILES: N1(C2=CC=CC=C2SC2=CC=C(C)C=C2C)CCNCC1

Description and Uses

In September 2013, vortioxetine (also known as Lu AA21004) was approved in the United States for the treatment of major depressive disorder (MDD). Vortioxetine was discovered from a designed multiple ligand approach to identifying an antidepressant agent that combined SERT inhibition with 5-HT1A agonism to more rapidly desensitize 5-HT1A receptors and 5-HT3A antagonism to improve mood and cognitive function. Vortioxetine has a human SERT IC₅₀=5.4 nM, an EC₅₀=200 nM as a human 5-HT1A receptor agonist (efficacy=96%; Ki=39 nM), and an IC₅₀=12 nM as a human 5-HT3A receptor antagonist (Ki=3.7 nM). It has weak inhibition of the dopamine and norepinephrine transporters, but high affinity for the human β1-noradrenergic receptor (Ki=46 nM), human 5-HT1B receptor (Ki=33 nM, partial agonist), and the human 5-HT-7 receptor (Ki=19 nM, antagonist).

Vortioxetine can be used in biological study of effectiveness of long term vortioxetine treatment of patients with major depressive disorder.

Safety

• Symbol(GHS): GHS08
• Signal word: Warning
• Hazard statements: H371-H373-H361
• Precautionary statements: P260-P314-P501-P201-P202-P281-P308+P313-P405-P501-P260-P264-P270-P309+P311-P405-P501
• Hazardous Substances Data: 508233-74-7(Hazardous Substances Data)