Loreclezole hydrochloride - ≥98% , CAS No.2227372-56-5

CAS: 2227372-56-5 Cat. No.: L287553 Formule: C₁₀H₆Cl₃N₃.HCl Poids moléculaire: 310.99 PubChem CID: 45073437

GRADE & PURITY ≥98%

Synonyms

(Z)-1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1H-1,2,4-triazole hydrochloride | R 72063 hydrochloride | R-72063 hydrochloride | 1-[(Z)-2-Chloro-2-(2,4-dichlorophenyl)vinyl]-1,2,4-triazole hydrochloride | 1-[(1Z)-2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1H

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

(Z)-1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1H-1,2,4-triazole hydrochloride | R 72063 hydrochloride | R-72063 hydrochloride | 1-[(Z)-2-Chloro-2-(2,4-dichlorophenyl)vinyl]-1,2,4-triazole hydrochloride | 1-[(1Z)-2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1H

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Subtype-selective GABAAreceptor modulator. Acts as a positive allosteric modulator ofβ2 orβ3-subunit containing receptors. Also acts as a negative modulator at a novel regulatory site, enhancing GABAAreceptor sensitization. Inhibits homomericρ1 GABACrecep

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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-
• Isomères SMILES: C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl.Cl
• PubChem CID: 45073437
• Poids moléculaire: 310.99

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: 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
• Poids moléculaire: 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

Foire aux questions

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.