Bucolome - ≥98% , CAS No.841-73-6

CAS: 841-73-6 Cat. No.: B693334 Fórmula: C₁₄H₂₂N₂O₃ Peso molecular: 266.34 PubChem CID: 2461

GRADE & PURITY ≥98%

Synonyms

5-Butyl-1-cyclohexylbarbituric acid | Bucolom | Paramidin | Paramidine | Bucolomum

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Bucolome is a CYP2C9 inhibitor, used as an uricosuric agent or anti-inflammatory agent.

Specifications

Sinónimos

5-Butyl-1-cyclohexylbarbituric acid | Bucolom | Paramidin | Paramidine | Bucolomum

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Propriedades do produto

ALogP

2.9

Nomes e identificadores

Pubchem Sid

528771630

Sorrisos canónicos

CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

IUPAC Name

5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

InChIKey

DVEQCIBLXRSYPH-UHFFFAOYSA-N

INCHI

1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)

SMILES isoméricas

CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

PubChem CID

2461

Peso molecular

266.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Hydropyrimidines Dicarboximides Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrimidone - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Dicarboximide - Carbonic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: barbiturates

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

Alvos associados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 266.340 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 266.163 Da
• Monoisotopic Mass: 266.163 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 375.000
• 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: 1