A 438079 hydrochloride - 10mM in DMSO , CAS No.899431-18-6

CAS: 899431-18-6 Cat. No.: A426749 Formula: C₁₃H₉Cl₂N₅•HCl Peso molecolare: 342.61 Numero EC: 663-461-2

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

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

10mM in DMSO

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 -80°C

Spedito in

Dry ice packs + Cold packs

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

Tipo di azione

ANTAGONIST

Nomi e identificatori

Pubchem Sid

528762976

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

• 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