Tedatioxetine hydrobromide - ≥99% , CAS No.960151-65-9

CAS: 960151-65-9 Cat. No.: T649340 Formula: C₁₈H₂₂BrNS Molecular Weight: 364.34 PubChem CID: 24751582

GRADE & PURITY ≥99%

Synonyms

4-(2-((4-Methylphenyl)sulfanyl)phenyl)piperidine hydrobromide | OJVYWXLMPZJYGV-UHFFFAOYSA-N | Lu AA24530 (HBr) | Tedatioxetine hydrobromide (USAN) | Tedatioxetine hydrobromide [USAN] | Tedatioxetine (hydrobromide) | Q27272091 | 4-(2-(4-tolylsulfanyl)pheny

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Tedatioxetine (Lu AA24530) hydrobromide acts as a serotonin and norepinephrine (NE)-preferring triple reuptake inhibitor (TRI) and 5-HT 2A , 5-HT 2C , 5-HT 3 and α 1A -adrenergic receptor antagonist ,

In Vitro

Tedatioxetine is an antidepressant agent. It acts as a triple reuptake inhibitor and 5-HT 2A , 5-HT 2C , 5-HT 3 and α 1A -adrenergic receptor antagonist. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:5-HT 2A Receptor 5-HT 2C Receptor 5-HT 3 Receptor α1A-adrenergic receptor

Specifications

Synonyms

4-(2-((4-Methylphenyl)sulfanyl)phenyl)piperidine hydrobromide | OJVYWXLMPZJYGV-UHFFFAOYSA-N | Lu AA24530 (HBr) | Tedatioxetine hydrobromide (USAN) | Tedatioxetine hydrobromide [USAN] | Tedatioxetine (hydrobromide) | Q27272091 | 4-(2-(4-tolylsulfanyl)pheny

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Tedatioxetine (Lu AA24530) hydrobromide acts as a serotonin and norepinephrine (NE)-preferring triple reuptake inhibitor (TRI) and 5-HT 2A , 5-HT 2C , 5-HT 3 and α 1A -adrenergic receptor antagonist.\n\n\n,

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3.Br
• IUPAC Name: 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
• InChIKey: OJVYWXLMPZJYGV-UHFFFAOYSA-N
• INCHI: 1S/C18H21NS.BrH/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15;/h2-9,15,19H,10-13H2,1H3;1H
• Isomeric SMILES: CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3.Br
• Alternate CAS: 960151-65-9
• PubChem CID: 24751582
• Molecular Weight: 364.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Diarylthioethers Thiophenol ethers Toluenes Aralkylamines Sulfenyl compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Diarylthioether - Aryl thioether - Thiophenol ether - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Amine - Hydrobromide - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (274.47 mM; Need ultrasonic)
• Molecular Weight: 364.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 363.066 Da
• Monoisotopic Mass: 363.066 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 279.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3