CAS 2140316-62-5

1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine-2,2,3,3,5,5,6,6-d8

Description:

1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine-2,2,3,3,5,5,6,6-d8, identified by its CAS number 2140316-62-5, is a deuterated compound, which means it contains deuterium atoms in place of some hydrogen atoms. This substitution can influence the compound's physical and chemical properties, such as its stability, solubility, and reactivity. The presence of a piperazine ring suggests potential biological activity, as piperazine derivatives are often found in pharmaceuticals and can interact with various biological targets. The thioether group, derived from the 2,4-dimethylphenyl moiety, may enhance lipophilicity, affecting the compound's distribution in biological systems. Additionally, the specific arrangement of substituents on the aromatic rings can influence the compound's electronic properties and steric hindrance, which are critical for its interaction with biological receptors. Overall, this compound's unique structure and isotopic labeling make it a valuable candidate for research in medicinal chemistry and pharmacology.

Formula: C₁₈H₁₄D₈N₂S

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/i9D2,10D2,11D2,12D2

InChI key: InChIKey=YQNWZWMKLDQSAC-PMCMNDOISA-N

SMILES: S(C1=C(C=CC=C1)N2C(C(NC(C2([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])C3=C(C)C=C(C)C=C3

Synonyms:

• 1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine-2,2,3,3,5,5,6,6-d8
• Piperazine-2,2,3,3,5,5,6,6-d8, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-

Vortioxetine-d8

CAS: 2140316-62-5

Formula: C₁₈H₁₄D₈N₂S

Color and Shape: Yellow Solid

Molecular weight: 306.50

Ref: 4Z-V-043026

Vortioxetine D8

CAS: 2140316-62-5

Vortioxetine D8 is a deuterium-labeled antidepressant inhibiting 5-HT1A/B, 5-HT3A, 5-HT7 receptors & SERT (Ki: 15-1.6 nM).

Formula: C₁₈H₂₂N₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 306.5

Ref: TM-T13308

Vortioxetine-d8

Controlled Product

CAS: 2140316-62-5

Vortioxetine-d8 is a deuterated version of the antidepressant vortioxetine, which is a synthetic analog derived from the original compound. This compound incorporates deuterium atoms, replacing specific hydrogen atoms, to provide stability and distinct characteristics useful in scientific studies. The deuterium-labeling technique is used to enhance the resolution in mass spectrometry by shifting the mass, aiding in pharmacokinetic evaluation and metabolic studies. Vortioxetine is known for its multimodal action as a serotonin reuptake inhibitor and modulator, affecting various serotonin receptors which contribute to its antidepressant effects.

Formula: C₁₈H₂₂N₂S

Purity: Min. 95%

Molecular weight: 306.5 g/mol

Ref: 3D-QKD31662