Dexpramipexole-d3dihydrochloride , CAS No.1432230-09-5

CAS: 1432230-09-5 Cat. No.: D651373 Molecular Weight: 287.27

Storage

Store at -20°C

Shipped In

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Overview

Dexpramipexole-d 3 (dihydrochloride) is the deuterium labeled Dexpramipexole. Dexpramipexole((R)-Pramipexole), also known as R-(+)-Pramipexole, is a neuroprotective agent and weak non-ergoline dopamine agonist.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Biochemical and Physiological Mechanisms

Dexpramipexole-d 3 (dihydrochloride) is the deuterium labeled Dexpramipexole. Dexpramipexole((R)-Pramipexole), also known as R-(+)-Pramipexole, is a neuroprotective agent and weak non-ergoline dopamine agonist.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: CCCNC1CCC2=C(C1)SC(=N2)N
• IUPAC Name: (6R)-6-N-(3,3,3-trideuteriopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
• InChIKey: FASDKYOPVNHBLU-ISLPBHIQSA-N
• INCHI: 1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1/i1D3
• Isomeric SMILES: [2H]C([2H])([2H])CCN[C@@H]1CCC2=C(C1)SC(=N2)N
• Molecular Weight: 287.27
• Reaxy-Rn: 6505273
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6505273&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: 2-amino-1,3-thiazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aralkylamine - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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