Pridopidine - ≥97% , Dopamine D2 receptor modulator, CAS No.346688-38-8, Dopamine D2 receptor modulator

CAS: 346688-38-8 Cat. No.: P648764 Molecular Weight: 281.41 EC Number: 810-806-1 PubChem CID: 9795739

GRADE & PURITY ≥97%

Synonyms

Pridopidine [USAN:INN] | 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine | NCGC00386586-01 | DTXSID90188225 | 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine | ACR 16 | UNII-HD4TW8S2VK | ASP2314 | ACR16 | ACR-16 | 4-(3-Methylsulfonylphenyl)-1-propylpiperi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pridopidine, a dopamine (DA) stabilizer, acts as a low affinity dopamine D2 receptor (D2R) antagonist. Pridopidine exerts high affinity towards sigma 1 receptor (S1R) with Ki between 70 and 80 nM, which is ~100× higher than its affinity toward D2R.

Specifications

Synonyms

Pridopidine [USAN:INN] | 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine | NCGC00386586-01 | DTXSID90188225 | 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine | ACR 16 | UNII-HD4TW8S2VK | ASP2314 | ACR16 | ACR-16 | 4-(3-Methylsulfonylphenyl)-1-propylpiperi

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Pridopidine, a dopamine ( DA ) stabilizer, acts as a low affinity dopamine D2 receptor ( D2R ) antagonist. Pridopidine exerts high affinity towards sigma 1 receptor ( S1R ) with K i between 70 and 80 nM, which is ~100× higher than its affinity toward D2R.

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

MODULATOR

Mechanism of action

Dopamine D2 receptor modulator

Purity

≥97%

Product Properties

• ALogP: 2.6

Names and Identifiers

• Canonical Smiles: CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C
• IUPAC Name: 4-(3-methylsulfonylphenyl)-1-propylpiperidine
• InChIKey: YGKUEOZJFIXDGI-UHFFFAOYSA-N
• INCHI: 1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
• Isomeric SMILES: CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C
• PubChem CID: 9795739
• Molecular Weight: 281.41

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: Benzenesulfonyl compounds Aralkylamines Sulfones Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Benzenesulfonyl group - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - 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

Associated Targets(Human)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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

Associated Targets(non-human)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (355.35 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive
• Molecular Weight: 281.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 281.145 Da
• Monoisotopic Mass: 281.145 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 366.000
• 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: 1