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149487-05-8

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149487-05-8 Usage

General Description

1-(3-bromopyridin-2-yl)-3-(2-phenylethyl)thiourea is a chemical compound with the molecular formula C15H15BrN4S. It is a thiourea derivative that contains a pyridine ring substituted with a bromine atom and a phenylethyl group. 1-(3-bromopyridin-2-yl)-3-(2-phenylethyl)thiourea is commonly used in medicinal chemistry as a potential inhibitor for various biological targets, including enzymes and receptors. Its unique structure and molecular properties make it a valuable tool for drug discovery and development. Additionally, it has shown potential as a therapeutic agent in the treatment of certain diseases and conditions. Further research and studies are ongoing to explore its full range of applications and potential benefits.

Check Digit Verification of cas no

The CAS Registry Mumber 149487-05-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,9,4,8 and 7 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 149487-05:
(8*1)+(7*4)+(6*9)+(5*4)+(4*8)+(3*7)+(2*0)+(1*5)=168
168 % 10 = 8
So 149487-05-8 is a valid CAS Registry Number.

149487-05-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-bromopyridin-2-yl)-3-(2-phenylethyl)thiourea

1.2 Other means of identification

Product number -
Other names PETT Analog 51

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:149487-05-8 SDS

149487-05-8Downstream Products

149487-05-8Relevant articles and documents

Design, synthesis, and computational validation of novel compounds selectively targeting HER2-expressing breast cancer

Elseginy, Samia A.,Hamdy, Rania,Menon, Varsha,Almehdi, Ahmed M.,El-Awady, Raafat,Soliman, Sameh S.M.

, (2020/11/09)

Human epidermal growth factor receptor (HER) is a family of multidomain proteins that plays important role in the regulation of several biological functions. HER2 is a member of HER that is highly presented in breast cancer cells. Here, we designed and synthesized a series of diaryl urea/thiourea compounds. The compounds were tested on HER2+ breast cancer cells including MCF-7 and SkBr3, compared to HER2- breast cancer cells including MDA-MB-231 and BT-549. Only compounds 12–14 at 10 μM showed selective anti-proliferative activity against MCF-7 and SkBr3 by 65–79%. Compounds 12–14 showed >80% inhibition of the intracellular kinase domain of HER2. The results obtained indicated that compounds 12–14 are selectively targeting HER2+ cells. The IC50 of compound 13 against MCF-7 and SkBR3 were 1.3 ± 0.009 and 0.73 ± 0.03 μM, respectively. Molecular docking and MD simulations (50 ns) were carried out, and their binding free energies were calculated. Compounds 12–14 formed strong hydrogen bond and pi–pi stacking interactions with the key residues Thr862 and Phe864. 3DQSAR model confirmed the role of 3-bromo substituent of pyridine ring and 4-chloro substituent of phenyl ring in the activity of the compounds. In conclusion, novel compounds, particularly 13 were developed selectively against HER2-expressing/overexpressing breast cancer cells including MCF7 and SkBr3.

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