4-Phenylimidazole - ≥98% , CAS No.670-95-1

CAS: 670-95-1 Cat. No.: P135879 Formula: C₉H₈N₂ Peso molecolare: 144.18 Beilstein Registry Number: 23182 Numero EC: 211-580-1 PubChem CID: 69590

GRADE & PURITY ≥98%

Synonyms

F8880-8368 | PD059830 | 4-Phenylimidazole | 4-phenyl-imidazole | FT-0619408 | InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11 | 1H-Imidazole, 5-phenyl- | SCHEMBL37563 | W-104732 | 4(5)-Phenylimidazole | NSC 195337 | STK741347 | Imidazole, 4-phe

Storage

Room temperature

Shipped In

Normal

Panoramica

4-Phenylimidazole was used to investigate the protein-ligand interactions in cytochrome P450 from the thermoacidophile Picrophilus torridus.It was used as heme ligand during the crystallization of recombinant human indoleamine 2,3-dioxygenase.It was used in the synthesis of complexes of copper and cobalt.

Specifications

Sinonimi

F8880-8368 | PD059830 | 4-Phenylimidazole | 4-phenyl-imidazole | FT-0619408 | InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11 | 1H-Imidazole, 5-phenyl- | SCHEMBL37563 | W-104732 | 4(5)-Phenylimidazole | NSC 195337 | STK741347 | Imidazole, 4-phe

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488184364
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184364
• Sorrisi canonici: C1=CC=C(C=C1)C2=CN=CN2
• IUPAC Name: 5-phenyl-1H-imidazole
• InChIKey: XHLKOHSAWQPOFO-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
• Isomeri SMILES: C1=CC=C(C=C1)C2=CN=CN2
• WGK Germania: 3
• PubChem CID: 69590
• Peso molecolare: 144.18
• Beilstein: 23182

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN 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

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ASIC3 Tchem Amiloride-sensitive cation channel 3 (217 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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LLTC cell line (101 Activities)

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cyp51 Lanosterol 14-alpha demethylase (36 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: acetone: soluble25 mg/mL, clear, colorless to yellow (typical)
• Punto di fusione (°C): 146 °C
• Peso molecolare: 144.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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: 1

Riferimenti

1. Chen Yan, Yin Huanshun, Sui Chengji, Fu Weizhang, Yang Yue, Ai Shiyun.  (2020)  Photoelectrochemical assay for DNA hydroxymethylation determination based on the inhibited photoactivity of black TiO2 nanosphere by ZnO.  MICROCHIMICA ACTA,  187  (3): (1-8).  [PMID:32025819] [10.1007/s00604-020-4131-0]

2. Chengji Sui, Tingting Wang, Yunlei Zhou, Huanshun Yin, Xiangjian Meng, Shenran Zhang, Geoffrey I.N. Waterhouse, Qin Xu, Yuping Zhuge, Shiyun Ai.  (2018)  Photoelectrochemical biosensor for hydroxymethylated DNA detection and T4-β-glucosyltransferase activity assay based on WS2 nanosheets and carbon dots.  BIOSENSORS & BIOELECTRONICS,      [PMID:30590221] [10.1016/j.bios.2018.11.054]