Clorhidrato de loreclezol - ≥98% , CAS No.2227372-56-5

CAS: 2227372-56-5 Cat. No.: L287553 Fórmula: C₁₀H₆Cl₃N₃.HCl Peso molecular: 310.99 PubChem CID: 45073437

GRADE & PURITY ≥98%

Synonyms

clorhidrato de (Z)-1-[2-cloro-2-(2,4-diclorofenil)etenil]-1H-1,2,4-triazol | Clorhidrato de R 72063 | Clorhidrato de R-72063 | Clorhidrato de 1-[(Z)-2-cloro-2-(2,4-diclorofenil)vinil]-1,2,4-triazol | Clorhidrato de 1-[(1Z)-2-cloro-2-(2,4-diclorofenil)eten

Storage

Conservar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

clorhidrato de (Z)-1-[2-cloro-2-(2,4-diclorofenil)etenil]-1H-1,2,4-triazol | Clorhidrato de R 72063 | Clorhidrato de R-72063 | Clorhidrato de 1-[(Z)-2-cloro-2-(2,4-diclorofenil)vinil]-1,2,4-triazol | Clorhidrato de 1-[(1Z)-2-cloro-2-(2,4-diclorofenil)eten

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Modulador selectivo del subtipo de receptor GABAA. Actúa como modulador alostérico positivo de los receptores que contienen subunidades β2 o β3. También actúa como modulador negativo en un nuevo sitio regulador, aumentando la sensibilización de los recept

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C,Desecado

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=C(C=C1Cl)Cl)C(=CN2C=NC=N2)Cl.Cl

IUPAC Name

1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole;hydrochloride

InChIKey

AWKSVFLKVCVVFQ-MDZFRNKHSA-N

INCHI

1S/C10H6Cl3N3.ClH/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16;/h1-6H;1H/b10-4-;

Isómeros SMILES

C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl.Cl

PubChem CID

45073437

Peso molecular

310.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Styrenes Aryl chlorides Triazoles Heteroaromatic compounds Vinyl chlorides Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Styrene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Objetivos asociados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 1.37, Max Conc. mM: 5 with gentle warming; Solvent:ethanol, Max Conc. mg/mL: 1.37, Max Conc. mM: 5 with gentle warming
• Peso molecular: 311.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 310.936 Da
• Monoisotopic Mass: 308.939 Da
• Topological Polar Surface Area: 30.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 272.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2227372-56-5, the molecular formula is C10H7Cl4N3, and the molecular weight is 310.99 g/mol. InChIKey AWKSVFLKVCVVFQ-MDZFRNKHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.