CID 71461073 - ≥98% , CAS No.1414376-85-4

CAS: 1414376-85-4 Cat. No.: C935618 Fórmula: C₂₅H₃₁I₂N Peso molecular: 599.33

GRAU & PUREZA Moligand™, ≥98%

Synonyms

VUF-11418 | VUF 11418 | CID 71461073 | 1-((1R,5S)-6,6-dimethylbicyclo [3.1.1]hept-2-en-2-yl)-N-((2'-iodobiphenyl-4-yl)methyl)-N,N-dimethylmethanaminium iodide

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

VUF11418 is a CXCR3 activator. VUF11418 can be used in inflammation research.

Especificações

Sinónimos

VUF-11418 | VUF 11418 | CID 71461073 | 1-((1R,5S)-6,6-dimethylbicyclo [3.1.1]hept-2-en-2-yl)-N-((2'-iodobiphenyl-4-yl)methyl)-N,N-dimethylmethanaminium iodide

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Pureza

≥98%

Product Line

C935618-1mg

Nomes e identificadores

Sorrisos canónicos

CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4I)C.[I-]

IUPAC Name

[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-[[4-(2-iodophenyl)phenyl]methyl]-dimethylazanium;iodide

InChIKey

UHSBTJDUAWBQGE-IUQUCOCYSA-M

INCHI

1S/C25H31IN.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

SMILES isoméricas

CC1([C@H]2CC=C([C@@H]1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4I)C.[I-]

Peso molecular

599.33

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: Biphenyls and derivatives
• Alternative Parents: Bicyclic monoterpenoids Aromatic monoterpenoids Phenylmethylamines Benzylamines Iodobenzenes Aralkylamines Aryl iodides Tetraalkylammonium salts Organopnictogen compounds Organoiodides Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Biphenyl - Aromatic monoterpenoid - Bicyclic monoterpenoid - Pinane monoterpenoid - Monoterpenoid - Benzylamine - Phenylmethylamine - Halobenzene - Iodobenzene - Aralkylamine - Aryl iodide - Aryl halide - Tetraalkylammonium salt - Quaternary ammonium salt - Organoiodide - Organohalogen compound - Organic nitrogen compound - Amine - Organic iodide salt - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic salt - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 599.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 599.055 Da
• Monoisotopic Mass: 599.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 555.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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