| Identification | More | [Name]
4-(1H-Imidazol-1-yl)aniline | [CAS]
2221-00-3 | [Synonyms]
1-(4'-AMINOPHEN-1-YL)IMIDAZOLE
1-(4-AMINOPHENYL)-1H-IMIDAZOLE
1-(4-AMINOPHENYL)IMIDAZOLE
4-(1H-IMIDAZOL-1-YL)ANILINE
4-(IMIDAZOL-1-YL)-ANILINE
4-IMIDAZOL-1-YL-PHENYLAMINE
AKOS B021935
AKOS BB-8983
AKOS BBS-00000369
ART-CHEM-BB B021935
4-(1H-Imidazole-1-yl)aniline
4-imidazolyl-aniline
4-(Imidazol-1-yl)aniline, GC 97% | [Molecular Formula]
C9H9N3 | [MDL Number]
MFCD01074865 | [Molecular Weight]
159.19 | [MOL File]
2221-00-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
143-147 °C(lit.) | [Boiling point ]
355.4±25.0 °C(Predicted) | [density ]
1.20±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder | [pka]
6.05±0.10(Predicted) | [InChI]
1S/C9H9N3/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2 | [InChIKey]
LVOASPZGXNAHJI-UHFFFAOYSA-N | [SMILES]
Nc1ccc(cc1)-n2ccnc2 | [CAS DataBase Reference]
2221-00-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29332900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
LANA-IN-1 (compound 8) is an N-acetyl-derived LANA inhibitor with antiviral activity against herpesvirus. In fluorescence assays using the LANA probe LBS2, 1 mM LANA-IN-1 shows an inhibition rate of 32%. LANA-IN-1 may inhibit the interaction between LANA and the viral genome[1]. | [Synthesis]
GENERAL METHODS: In a catalyzed reaction, Catalyst C1 (12 mg, 0.01 mmol), imidazole (1.0 mmol), 4-bromoaniline (1.0 mmol), NaOH (80 mg, 2.0 mmol), and dimethyl sulfoxide (DMSO, 5 mL) were added to a sealed tube. The reaction mixture was stirred at 100 °C for 4 h and subsequently cooled to room temperature. After the reaction was completed, 5 mL of water was added and the mixture was extracted with ethyl acetate (5 mL x 3). The organic layers were combined, dried with anhydrous Na2SO4 and concentrated under reduced pressure to remove the solvent. Finally, the target product 4-(imidazol-1-yl)aniline was purified by silica gel column chromatography. | [References]
[1] Kirsch P, et al. Fragment-Based Discovery of a Qualified Hit Targeting the Latency-Associated Nuclear Antigen of the Oncogenic Kaposi's Sarcoma-Associated Herpesvirus/Human Herpesvirus 8. J Med Chem. 2019 Apr 25;62(8):3924-3939. DOI:10.1021/acs.jmedchem.8b01827 |
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