RS 100329 hydrochloride - ≥98% , CAS No.1215654-26-4

CAS: 1215654-26-4 Cat. No.: R287290 Peso molecular: 462.89 PubChem CID: 11340200

GRADE & PURITY ≥98%

Synonyms

5-Methyl-3-[3-[3-[4-[2-(2,2,2,-trifluroethoxy)phenyl]-1-piperazinyl]propyl]-2,4-(1H,3H)-pyrimidinedione hydrochloride | 2-hydroxy-5-methyl-3-(3-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperazin-1-yl)propyl)pyrimidin-4(3H)-one hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-Methyl-3-[3-[3-[4-[2-(2, 2, 2, -trifluroethoxy)phenyl]-1-piperazinyl]propyl]-2, 4-(1H, 3H)-pyrimidinedione hydrochloride | 2-hydroxy-5-methyl-3-(3-(4-(2-(2, 2, 2-trifluoroethoxy)phenyl)piperazin-1-yl)propyl)pyrimidin-4(3H)-one hydrochloride

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Subtype-selectiveα1A-adrenoceptor antagonist (pKi= 9.6 for human clonedα1Areceptors). Displays 126- and 50-fold selectivity over humanα1Bandα1Dreceptors respectively. Activein vivo.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766315
• Sonrisas canónicas: CC1=CNC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F.Cl
• IUPAC Name: 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione;hydrochloride
• InChIKey: CWVABCXVOAVUJL-UHFFFAOYSA-N
• INCHI: 1S/C20H25F3N4O3.ClH/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23;/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29);1H
• Isómeros SMILES: CC1=CNC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3OCC(F)(F)F.Cl
• PubChem CID: 11340200
• Peso molecular: 462.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aminophenyl ethers Aniline and substituted anilines Dialkylarylamines Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Pyrimidones Hydropyrimidines Heteroaromatic compounds Vinylogous amides Ureas Lactams Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - N-alkylpiperazine - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrochloride - Alkyl fluoride - Alkyl halide - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Peso molecular: 462.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 462.165 Da
• Monoisotopic Mass: 462.165 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 648.000
• 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: 2

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