Radafaxine hydrochloride - ≥99% , CAS No.106083-71-0

CAS: 106083-71-0 Cat. No.: R646904 Molecular Weight: 292.2 EC Number: 689-425-6 PubChem CID: 9838996

GRADE & PURITY ≥99%

Synonyms

1-[2-[Bis-(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol hydrochloride salt | (2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol | HY-17590 | UNII-SYD411HZ3S

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Radafaxine hydrochloride (GW-353162A) is a DAT (dopamine transporter) and NET(norepinephrine transporter) transporters inhibitor, and nAChR family modulator. Radafaxine hydrochloride (GW-353162A) is a potent metabolite of bupropion and selective for inhibiting the reuptake of norepinephrine over dopamine .

In Vitro

The relatively low potency of Radafaxine hydrochloride (GW-353162A) in blocking DAT and its slow blockade suggests that it is unlikely to have reinforcing effects. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

1-[2-[Bis-(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | (+)-(2s, 3s)-2-(3-chlorophenyl)-3, 5, 5-trimethyl-2-morpholinol hydrochloride salt | (2S, 3S)-2-(3-Chlorophenyl)-3, 5, 5-trimethyl-2-morpholinol | HY-17590 | UNII-SYD411HZ3S

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Radafaxine hydrochloride (GW-353162A) is a DAT (dopamine transporter) and NET(norepinephrine transporter) transporters inhibitor, and nAChR family modulator. Radafaxine hydrochloride (GW-353162A) is a potent metabolite of bupropion and selective for inhib

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl
• IUPAC Name: (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride
• InChIKey: ORXTVTDGPVINDN-BTJVGWIPSA-N
• INCHI: 1S/C13H18ClNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10;/h4-7,9,15-16H,8H2,1-3H3;1H/t9-,13+;/m0./s1
• Isomeric SMILES: C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl
• WGK Germany: 3
• PubChem CID: 9838996
• Molecular Weight: 292.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Hemiacetals Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hemiacetal - Secondary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : 33.33 mg/mL (114.07 mM; Need ultrasonic) DMSO : 25 mg/mL (85.56 mM; Need ultrasonic)
• Molecular Weight: 292.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 291.079 Da
• Monoisotopic Mass: 291.079 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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