35982-98-0

Basic information

• Product Name: 5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
• Synonyms: 5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE;5-(4-Chloro-phenyl)-2-hydroxy-nicotinonitrile;5-(4-Chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
• CAS NO: 35982-98-0
• Molecular Formula: C₁₂H₇ClN₂O
• Molecular Weight: 230.65
• Mol File: 35982-98-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 281-284°C
• Boiling Point: 439.1±45.0 °C(Predicted)
• Appearance: /
• Density: 1.38±0.1 g/cm3(Predicted)
• PKA: 8.16±0.10(Predicted)
• CAS DataBase Reference: 5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE(35982-98-0)
• EPA Substance Registry System: 5-(4-CHLOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE(35982-98-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 35982-98-0(Hazardous Substances Data)

Usage

General Description

5-(4-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, also known as dabigatran etexilate, is a chemical compound with anticoagulant properties. It functions as a direct thrombin inhibitor, preventing the formation of blood clots. Dabigatran etexilate is used to reduce the risk of stroke and blood clots in patients with non-valvular atrial fibrillation, as well as to treat and prevent deep vein thrombosis and pulmonary embolism. The compound is available in capsule form for oral administration and is commonly prescribed under the brand name Pradaxa. While effective in managing blood clotting disorders, dabigatran etexilate may also pose a risk of bleeding and other side effects, and should be used with caution under the supervision of a healthcare professional.

Upstream product

• 85907-66-0 2-(4-Chlorophenyl)-3-(dimethylamino)-2-propenal 
• 107-91-5 cyanoacetic acid amide 
• 1878-66-6 4-chlorophenylacetic Acid 
• 405224-22-8 2-hydroxy-3-cyano-5-bromopyridine 
• 1679-18-1 4-Chlorophenylboronic acid 
• 20577-27-9 2-hydroxy-3-cyanopyridine 
• 6602-54-6 2-chloro-3-pyridinecarbonitrile 

Downstream Products

• 35982-99-1 2-chloro-5-(4-chlorophenyl)-3-pyridinecarbonitrile 

Relevant articles and documents

Fragment-based design, synthesis, and biological evaluation of N-substituted-5-(4-isopropylthiophenol)-2-hydroxynicotinamide derivatives as novel Mcl-1 inhibitors

We have previously reported a nanomolar inhibitor of antiapoptotic Mcl-1 protein, 3-thiomorpholin-8-oxo-8H-acenaphtho [1,2-b] pyrrole-9-carbonitrile (S1). S1 plays its function by binding to the BH3 groove of Mcl-1. Basing on this spacial structural characteristic, we developed a novel class of Mcl-1 inhibitor using fragment-based drug discovery approach. By dissecting S1, we identified the compound 4 with a 2-hydroxypyridine core as the starting fragment. In the following molecular growth, we used the ligand efficiency evaluation and fit quality score to assess the fragments. A novel potent compound, N-benzyl-5-(4-isopropylthiophenol)-2-hydroxyl nicotinamide (12c), which binds Mcl-1 with an IC50 value of 54 nM was obtained. Compound 12c demonstrated a better aqueous solubility than S1.

Dihydropyridazinones, pyridazinones and related compounds as fungicides

This invention relates to substituted dihydropyridazinones, pyridazinones and related compounds, of the formula STR1 wherein A, Q, D and R1 are as defined within, compositions containing these compounds and methods of controlling agricultural and mammalian fungal diseases.

1-Benzoyl-3-(arylphyridyl)urea compounds

The present invention is directed to 1-benzoyl-3-(arylpyridyl)urea compounds useful as insecticides.