796095-89-1

Basic information

• Product Name: 4-Benzyl-2,6-dichloropyrimidine
• Synonyms: 4-Benzyl-2,6-dichloropyrimidine;2,4-Dichloro-6-(phenylmethyl)pyrimidine;PyriMidine, 2,4-dichloro-6-(phenylMethyl)-
• CAS NO: 796095-89-1
• Molecular Formula: C₁₁H₈Cl₂N₂
• Molecular Weight: 239
• Mol File: 796095-89-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 351.467 °C at 760 mmHg
• Flash Point: 197.379 °C
• Appearance: /
• Density: 1.334
• CAS DataBase Reference: 4-Benzyl-2,6-dichloropyrimidine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Benzyl-2,6-dichloropyrimidine(796095-89-1)
• EPA Substance Registry System: 4-Benzyl-2,6-dichloropyrimidine(796095-89-1)

Safety Data

• Hazardous Substances Data: 796095-89-1(Hazardous Substances Data)

Usage

General Description

4-Benzyl-2,6-dichloropyrimidine is a chemical substance that falls under the category of organic compounds. Specifically, it's a Pyrimidine derivative containing a benzyl group substituted at the 4-position and two chlorine atoms at the 2 and 6 positions. Pyrimidines are aromatic heterocyclic compounds that consist of two nitrogen atoms and four carbon atoms in a six-membered ring. Therefore, 4-Benzyl-2,6-dichloropyrimidine exhibits characteristics as such. It is widely used in the field of pharmaceuticals and research, particularly in synthesizing other complex compounds. However, like most chemical substances, it should be handled with care due to its potential to cause harm to humans and the environment.

InChI:InChI=1S/C11H8Cl2N2/c12-10-7-9(14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2

Upstream product

• 100-39-0 benzyl bromide 
• 3764-01-0 2,4,6-trichloropyrimidine 
• 1589-82-8 phenylmagnesium bromide 
• 6921-34-2 benzylmagnesium chloride 

Downstream Products

• 927679-38-7 6-benzyl-2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine 
• 927679-40-1 6-benzyl-2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)pyrimidin-4-amine 
• 1185014-70-3 (6-benzyl-2-chloro-pyrimidin-4-yl)-[3-methoxy-4-(4-methyl-imidazol-1-yl)-phenyl]-amine 
• 168150-96-7 4-benzyl-2-chloropyrimidine 
• 861031-86-9 4-benzyl-2-chloro-6-methyl-pyrimidine 

Relevant articles and documents

Discovery of 2,4-diaminopyrimidine derivatives targeting p21-activated kinase 4: Biological evaluation and docking studies

In this study, novel 2,4-diaminopyrimidine derivatives targeting p21-activated kinase 4 (PAK4) were discovered and evaluated for their biological activity against PAK4. Among the derivatives studied, promising compounds A2, B6, and B8 displayed the highest inhibitory activities against PAK4 (IC50 = 18.4, 5.9, and 20.4 nM, respectively). From the cellular assay, compound B6 exhibited the highest potency with an IC50 value of 2.533 μM against A549 cells. Some compounds were selected for computational ADME (absorption, distribution, metabolism, and elimination) properties and molecular docking studies against PAK4. The detailed structure–activity relationship based on the biochemical activities and molecular docking studies were explored. According to the docking studies, compound B6 had the lowest docking score (docking energy: ?7.593 kcal/mol). The molecular docking simulation indicated the binding mode between compound B6 and PAK4. All these results suggest compound B6 as a useful candidate for the development of a PAK4 inhibitor.

DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF

The present invention provides a diaminopyrimidine derivative or its pharmaceutically acceptable salt, a process for the preparation thereof, a pharmaceutical composition comprising the same, and a use thereof. The diaminopyrimidine derivative or its pharmaceutically acceptable salt functions as a 5-HT4 receptor agonist, and therefore can be usefully applied for preventing or treating dysfunction in gastrointestinal motility, one of the gastrointestinal diseases, such as gastroesophageal reflux disease (GERD), constipation, irritable bowel syndrome (IBS), dyspepsia, post-operative ileus, delayed gastric emptying, gastroparesis, intestinal pseudo-obstruction, drug-induced delayed transit, or diabetic gastric atony.

PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS

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