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

CAS: 1257326-24-1 Cat. No.: G344393 Peso molecular: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

MODULATOR

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488201824
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201824
• Sonrisas canónicas: 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
• Isómeros SMILES: C1CCNC(C1)CN2CCN(C2=O)C3=CC=CC=C3.Cl
• PubChem CID: 57347570
• Peso molecular: 295.81

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (100 mM), and DMSO (100 mM).
• Peso molecular: 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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