GSK 789472 hydrochloride - ≥95% , CAS No.1257326-24-1

CAS: 1257326-24-1 Cat. No.: G344393 Molecular Weight: 295.81 PubChem CID: 57347570

GRADE & PURITY ≥95%

Synonyms

1257326-24-1 | 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one hydrochloride | GSK 789472 hydrochloride | MFCD18086910 | 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride | 4,5-Dihydro-1-phenyl-3-(2-piperidinyl)methylimidazol-2(1H)-one

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

GSK 789472 hydrochloride is a specific dopamine D|3|receptor (D3DR) antagonist and D2DR partial agonist. GSK 789472 hydrochloride is additionally reported to be selective against the D4DR receptor in various|in vitro|assays.

Specifications

Synonyms

1257326-24-1 | 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one hydrochloride | GSK 789472 hydrochloride | MFCD18086910 | 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride | 4, 5-Dihydro-1-phenyl-3-(2-piperidinyl)methylimidazol-2(1H)-one

Specifications & Purity

≥95%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

MODULATOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488201824
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201824
• Canonical Smiles: C1CCNC(C1)CN2CCN(C2=O)C3=CC=CC=C3.Cl
• IUPAC Name: 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride
• InChIKey: BYJUVPWUMBVSTK-UHFFFAOYSA-N
• INCHI: 1S/C15H21N3O.ClH/c19-15-17(12-13-6-4-5-9-16-13)10-11-18(15)14-7-2-1-3-8-14;/h1-3,7-8,13,16H,4-6,9-12H2;1H
• Isomeric SMILES: C1CCNC(C1)CN2CCN(C2=O)C3=CC=CC=C3.Cl
• PubChem CID: 57347570
• Molecular Weight: 295.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Piperidines Imidazolidinones Benzene and substituted derivatives Ureas Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Monocyclic benzene moiety - Imidazolidinone - Piperidine - Benzenoid - Tertiary amine - Urea - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by 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: Soluble in water (100 mM), and DMSO (100 mM).
• Molecular Weight: 295.810 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 295.145 Da
• Monoisotopic Mass: 295.145 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 315.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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