Home Imidazoles 670-95-1
670-95-1,MFCD00005197
Catalog No.:AA003LWL

670-95-1 | 4-Phenylimidazole

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1g
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$13.00   $9.00
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5g
98%
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$26.00   $18.00
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10g
98%
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$46.00   $32.00
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25g
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100g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003LWL
Chemical Name:
4-Phenylimidazole
CAS Number:
670-95-1
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD00005197
SMILES:
c1ccc(cc1)c1c[nH]cn1
NSC Number:
195337
Properties
Properties
 
BP:
379.829 °C at 760 mmHg  
Form:
Solid  
MP:
128-131 °C(lit.);  
Refractive Index:
1.6200 (estimate)  
Solubility:
acetone: soluble25mg/mL, clear, colorless to yellow (typical)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
119  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route

[1]ChemischeBerichte,1953,vol.86,p.96,107

[2]ChemischeBerichte,1953,vol.86,p.96,107

[1]Forsyth;Pyman[JournaloftheChemicalSociety,1925,vol.127,p.576]

[1]Patent:WO2004/14900,2004,A1.Locationinpatent:Page37-38

[2]JournaloftheChemicalSociety,1925,vol.127,p.576

[3]JournaloftheChemicalSociety,1925,vol.127,p.576

[1]Heterocycles,1981,vol.16,p.573-576

[2]Heterocycles,1981,vol.16,p.573-576

[1]OrganicLetters,2016,vol.18,p.16-19

[2]Heterocycles,1993,vol.35,p.433-440

Literature

Title: Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.

Journal: Journal of medicinal chemistry 20120614

Title: Unusual spectroscopic and ligand binding properties of the cytochrome P450-flavodoxin fusion enzyme XplA.

Journal: The Journal of biological chemistry 20120601

Title: Structure and reaction mechanism in the heme dioxygenases.

Journal: Biochemistry 20110412

Title: Dipyrrin based silver [2 + 2] metallamacrocycles.

Journal: Dalton transactions (Cambridge, England : 2003) 20110114

Title: Amino acid substitutions at the major insertion loop of Candida albicans sterol 14alpha-demethylase are involved in fluconazole resistance.

Journal: PloS one 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Ligand-induced conformational heterogeneity of cytochrome P450 CYP119 identified by 2D NMR spectroscopy with the unnatural amino acid (13)C-p-methoxyphenylalanine.

Journal: Journal of the American Chemical Society 20081203

Title: Exploring the mechanism of tryptophan 2,3-dioxygenase.

Journal: Biochemical Society transactions 20081201

Title: Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase.

Journal: Journal of medicinal chemistry 20080828

Title: Crystal structure and properties of CYP231A2 from the thermoacidophilic archaeon Picrophilus torridus.

Journal: Biochemistry 20080219

Title: Ligand-assisted inhibition in cytochrome P450 158A2 from Streptomyces coelicolor A3(2).

Journal: Biochemistry 20060620

Title: Conformational flexibility of mammalian cytochrome P450 2B4 in binding imidazole inhibitors with different ring chemistry and side chains. Solution thermodynamics and molecular modeling.

Journal: The Journal of biological chemistry 20060324

Title: Crystallization and preliminary crystallographic studies of human indoleamine 2,3-dioxygenase.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications 20060301

Title: Structural diversities of active site in clinical azole-bound forms between sterol 14alpha-demethylases (CYP51s) from human and Mycobacterium tuberculosis.

Journal: The Journal of biological chemistry 20050311

Title: Homology modeling of lanosterol 14alpha-demethylase of Candida albicans and Aspergillus fumigatus and insights into the enzyme-substrate Interactions.

Journal: Journal of biomolecular structure & dynamics 20040801

Title: 4-Phenyl-1H-imidazole (a low-temperature redetermination), 1-benzyl-1H-imidazole and 1-mesityl-1H-imidazole.

Journal: Acta crystallographica. Section C, Crystal structure communications 20040801

Title: Theoretical study of the ligand-CYP2B4 complexes: effect of structure on binding free energies and heme spin state.

Journal: Proteins 20040601

Title: Amino acid residues critical for differential inhibition of CYP2B4, CYP2B5, and CYP2B1 by phenylimidazoles.

Journal: Molecular pharmacology 20010301

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