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4-(1H-Imidazol-1-ylmethyl)aniline is a chemical compound characterized by the molecular formula C10H12N2. It is an aniline derivative with a 1H-imidazol-1-ylmethyl group attached to the fourth position of the benzene ring, offering unique structural and functional properties.

56643-85-7

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56643-85-7 Usage

Uses

Used in Pharmaceutical Industry:
4-(1H-Imidazol-1-ylmethyl)aniline is used as a building block in the synthesis of pharmaceuticals for its potential role in the development of new drugs. Its unique structure allows for versatile chemical modifications, making it a valuable precursor in medicinal chemistry.
Used in Organic Chemistry:
4-(1H-Imidazol-1-ylmethyl)aniline is used as a key intermediate in the synthesis of various organic compounds, leveraging its reactive imidazole and aniline groups for further functionalization and the creation of complex molecules.
Used in Dye and Pigment Production:
4-(1H-Imidazol-1-ylmethyl)aniline is used as an intermediate in the production of dyes and pigments, capitalizing on its ability to form colored compounds that can be utilized in various industries, including textiles, plastics, and printing inks.
Used in Industrial Chemicals:
4-(1H-Imidazol-1-ylmethyl)aniline may have potential applications in the field of industrial chemicals, serving as a precursor for the synthesis of specialty chemicals used in coatings, adhesives, and other materials.
Safety Precautions:
As with any chemical compound, proper handling and safety precautions should be observed when working with 4-(1H-Imidazol-1-ylmethyl)aniline to ensure the safety of personnel and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 56643-85-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,6,4 and 3 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 56643-85:
(7*5)+(6*6)+(5*6)+(4*4)+(3*3)+(2*8)+(1*5)=147
147 % 10 = 7
So 56643-85-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H11N3/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7,11H2

56643-85-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Imidazol-1-ylmethylphenylamine

1.2 Other means of identification

Product number -
Other names 4-(imidazol-1-ylmethyl)aniline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:56643-85-7 SDS

56643-85-7Relevant academic research and scientific papers

Novel imidazole derivatives as antifungal agents: Synthesis, biological evaluation, ADME prediction and molecular docking studies

Alt?nda?, Firuze Diyar,Sa?l?k, Begüm Nurpelin,Acar ?evik, Ulviye,I??kda?, ?lhan,?zkay, Yusuf,Karaca Gen?er, Hülya

, p. 887 - 894 (2019/02/03)

A series of 2-(substituteddithiocarbamoyl)-N-[4-((1H-imidazol-1-yl)methyl)phenyl]acetamide derivatives was designed and synthesized to combat the increasing incidence of drug-resistant fungal infections. All synthesized compounds were characterized by IR, 1H-NMR, 13C-NMR, and HRMS spectra and elemental analyses. Antifungal activity tests were performed against four different fungal strains. Molecular docking studies were performed to investigate the mode of action towards the fungal lanosterol 14α-demethylase, a cytochrome P450-dependent enzyme. ADME studies were carried out and a connection between activities and physicochemical properties of the target compounds was determined. Most of the final compounds exhibited significant activity against Candida albicans and Candida krusei with MIC50 value 12.5 μg/mL. The results of in vitro anti-Candida activity, a docking study and ADME prediction revealed that the newly synthesized compounds have potential anti-Candida activity and evidenced the most active derivative, 5b (2-Pyrrolidinthiocarbonylthio-N-[4-((1H-imidazol-1-yl)methyl)phenyl]acetamide), which can be further optimized as a lead compound.

Synthesis and biological evaluation of azole-diphenylpyrimidine derivatives (AzDPPYs) as potent T790M mutant form of epidermal growth factor receptor inhibitors

Song, Zhendong,Jin, Yue,Ge, Yang,Wang, Changyuan,Zhang, Jianbin,Tang, Zeyao,Peng, Jinyong,Liu, Kexin,Li, Yanxia,Ma, Xiaodong

, p. 5505 - 5512 (2016/10/24)

A series of novel azole-diphenylpyrimidine derivatives (AzDPPYs) were synthesized and biologically evaluated as potent EGFRT790Minhibitors. Among these analogues, the most active inhibitor 6e not only displayed high activity against EGFRT790M/L858Rkinase (IC50?=?3.3?nM), but also was able to repress the replication of H1975 cells harboring EGFRT790Mmutation at a concentration of 0.118?μmol/L. In contrast to the lead compound rociletinib, 6e slightly reduces the key EGFRT790M-minduced drug resistance. Significantly, inhibitor 6e demonstrates high selectivity (SI?=?299.3) for T790M-containing EGFR mutants over wild type EGFR, hinting that it will cause less side effects.

Microwave-assisted deacylation of unactivated amides using ammonium-salt-accelerated transamidation

Shimizu, Yuhei,Morimoto, Hiroyuki,Zhang, Ming,Ohshima, Takashi

supporting information; experimental part, p. 8564 - 8567 (2012/09/11)

Easy does it! The chemoselective oxidative ?-C(sp3)H alkylation/cyclization reaction of N-benzyl carbamates using simple mono-, di-, and trisubstituted olefins provides functionalized N-heterocycles such as oxazinones (see picture). A TEMPO oxoammonium salt serves as the oxidant, making it possible to carry out the reaction at low temperatures. Neither a metal catalyst nor preactivation in the ?-position to the nitrogen group are needed.

INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS

-

Page/Page column 22, (2012/03/10)

This invention relates to the use of a group of aryl ureas in treating cytokine mediated diseases, other than cancer and proteolytic enzyme mediated diseases, other than cancer, and pharmaceutical compositions for use in such therapy.

AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON

-

, (2011/05/05)

The invention relates to certain aminopyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

Synthesis, Biological Evaluation, and Molecular Modeling of 1 -Benzyl-1H-imidazoles as Selective Inhibitors of Aldosterone Synthase (CYP11B2)

Roumen, Luc,Peeters, Joris W.,Emmen, Judith M. A.,Beugels, Ilona P. E.,Custers, Erica M. G.,De Gooyer, Marcel,Plate, Ralf,Pieterse, Koen,Hilbers, Peter A. J.,Smits, Jos F. M.,Vekemans, Jef A. J.,Leysen, Dirk,Ottenheijm, Harry C. J.,Janssen, Henk M.,Rob Hermans

experimental part, p. 1712 - 1725 (2010/07/17)

Reducing aldosterone action is beneficial in various major diseases such as heart failure. Currently, this is achieved, with mineralocorticoid, receptor antagonists, however, aldosterone synthase (CYP 11B2) inhibitors may offer a promising alternative. In this study, we used three-dimensional modeling of CYP11B2 to model, the binding modes of the natural substrate 18-hydroxycorticosterone and the recently published CYP11B2 inhibitor R-fadrozole as a rational guide to design 44 structurally simple and achiral 1-benzyl-1H-imidazoles. Their syntheses, in vitro inhibitor potencies, and in silico docking are described. Some promising CYP11B2 inhibitors were identified, with our novel lead, MOERAS 115 (4-((5-phenyl-1H-imidazol-1-yl)methyl) benzonitrile) displaying an IC50 for CYP11B2 of 1.7 nM, and a CYP11B2 (versus CYP11B1) selectivity of 16.5, comparable to R-fadrozole (IC 50 for CYP11B26.0 nM, selectivity 19.8). Molecular docking of the inhibitors in the models enabled us to generate posthoc hypotheses on their binding modes, providing a valuable basis for future studies and further design of CYP11B2 inhibitors.

2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors

-

Page/Page column 13, (2010/04/25)

2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and their salts are kinase inhibitors, useful in the treatment of cancer.

Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas

-

Page/Page column 19, (2008/12/04)

This invention relates to the use of a group of aryl ureas in treating raf mediated diseases, and pharmaceutical compositions for use in such therapy.

Thiazolyl-Dihydro-Indazole

-

Page/Page column 11, (2008/06/13)

The present invention encompasses compounds of general formula (1) wherein R1 to R6 are defined as in claim 1, which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and the use th

INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS

-

Page/Page column 23, (2010/11/28)

Methods of treating tumors mediated by raf kinase, with substituted urea compounds, and such compounds per se.

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