A 438079 hydrochloride - ≥95% , CAS No.899431-18-6

CAS: 899431-18-6 Cat. No.: A287568 Formula: C₁₃H₉Cl₂N₅•HCl Peso molecolare: 342.61 Numero EC: 663-461-2

GRADE & PURITY ≥95%

Synonyms

AKOS012956608 | AC-32751 | F17857 | ZKB43118 | CCG-267952 | HY-15488A | BCP34027 | ZKB50736 | 3-(5-(2,3-Dichlorophenyl)-1H-tetrazol-1-yl)methyl pyridine hydrochloride | AKOS024457362 | 3-[[5-(2,3-DICHLOROPHENYL)-1H-TETRAZOL-1-YL]METHYL]PYRIDINE, HCL | A-4

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

AKOS012956608 | AC-32751 | F17857 | ZKB43118 | CCG-267952 | HY-15488A | BCP34027 | ZKB50736 | 3-(5-(2,3-Dichlorophenyl)-1H-tetrazol-1-yl)methyl pyridine hydrochloride | AKOS024457362 | 3-[[5-(2,3-DICHLOROPHENYL)-1H-TETRAZOL-1-YL]METHYL]PYRIDINE, HCL | A-4

Specifiche e purezza

≥95%

Meccanismi biochimici e fisiologici

Competitive P2X7receptor antagonist (pIC50= 6.9 for the inhibition of Ca2+influx in the human recombinant P2X7cell line). Devoid of activity at other P2 receptors (IC50>> 10μM). Possesses antinociceptive activity in models of neuropathic painin vivo. Inhi

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504766647

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766647

Sorrisi canonici

C1=CC(=C(C(=C1)Cl)Cl)C2=NN=NN2CC3=CN=CC=C3.Cl

IUPAC Name

3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine;hydrochloride

InChIKey

MBTJFFMIPPMRGR-UHFFFAOYSA-N

INCHI

1S/C13H9Cl2N5.ClH/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9;/h1-7H,8H2;1H

Isomeri SMILES

C1=CC(=C(C(=C1)Cl)Cl)C2=NN=NN2CC3=CN=CC=C3.Cl

Peso molecolare

342.61

Reaxy-Rn

10603383

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10603383&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Dichlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 34.26, Max Conc. mM: 100
• Sensibilità: Moisture sensitive
• Peso molecolare: 342.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 341 Da
• Monoisotopic Mass: 341 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 319.000
• 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

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 899431-18-6, the molecular formula is C13H10Cl3N5, and the molecular weight is 342.61 g/mol. InChIKey MBTJFFMIPPMRGR-UHFFFAOYSA-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.