VUF 11222 - ≥98% , CAS No.1414376-84-3

CAS: 1414376-84-3 Cat. No.: V288506 Formula: C₂₅H₃₁BrIN Peso molecolare: 552.33 PubChem CID: 71459294

GRADE & PURITY ≥98%

Synonyms

2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

High affinity non-peptide CXCR3 agonist.

Specifications

Sinonimi

2'-Bromo-N-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N,N-dimethyl-[1,1'-biphenyl]-4-methanaminium iodide

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

High affinity non-peptide CXCR3 agonist (pKi= 7.2).

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Tipo di azione

AGONIST

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528767670
• Sorrisi canonici: CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]
• IUPAC Name: [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium;iodide
• InChIKey: IXXWHYDKYNWDKJ-IUQUCOCYSA-M
• INCHI: 1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1
• Isomeri SMILES: CC1([C@H]2CC=C([C@@H]1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]
• PubChem CID: 71459294
• Peso molecolare: 552.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Brominated biphenyls
• Alternative Parents: Bicyclic monoterpenoids Aromatic monoterpenoids Phenylmethylamines Benzylamines Bromobenzenes Aralkylamines Aryl bromides Tetraalkylammonium salts Organobromides Organic iodide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Brominated biphenyl - Aromatic monoterpenoid - Bicyclic monoterpenoid - Pinane monoterpenoid - Monoterpenoid - Benzylamine - Phenylmethylamine - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tetraalkylammonium salt - Quaternary ammonium salt - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
• 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

Obiettivi associati (umani)

CXCR3 Tchem C-X-C chemokine receptor type 3 (1 Activities)

Discover Target: CXCR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 55.23, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.52, Max Conc. mM: 10 with gentle warming