4021-12-9

Basic information

• Product Name: 3-METHYL-4-PYRIDINECARBOXYLIC ACID
• Synonyms: 3-METHYL-4-PYRIDINECARBOXYLIC ACID;3-METHYL-4-PYRIDINYLCARBOXIC ACID;3-METHYL-ISONICOTINIC ACID;3-METHYLPYRIDINE-4-CARBOXYLIC ACID;ASINEX-REAG BAS 07668195;3-Methyl-4-pyridinecarboxylic acid ,97%;5-Methylisonicotinic Acid;4-Pyridinecarboxylic acid, 3-methyl-
• CAS NO: 4021-12-9
• Molecular Formula: C₇H₇NO₂
• Molecular Weight: 137.14
• Product Categories: pharmacetical;Pyridines;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Nicotine Derivatives;Pharmaceuticals
• Mol File: 4021-12-9.mol
• Article Data: 17

Chemical Properties

• Melting Point: 235℃
• Boiling Point: 389℃
• Flash Point: 189℃
• Appearance: /
• Density: 1.230
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.561
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 0.82±0.25(Predicted)
• CAS DataBase Reference: 3-METHYL-4-PYRIDINECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-4-PYRIDINECARBOXYLIC ACID(4021-12-9)
• EPA Substance Registry System: 3-METHYL-4-PYRIDINECARBOXYLIC ACID(4021-12-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 4021-12-9(Hazardous Substances Data)

Usage

Description

3-METHYL-4-PYRIDINECARBOXYLIC ACID, also known as Isonicotinic Acid (I821760) derivative, is an organic compound with the molecular formula C6H6NO2. It is a white crystalline solid that plays a significant role in the pharmaceutical industry due to its ability to be used in the synthesis of various compounds with therapeutic potential.

Uses

Used in Pharmaceutical Industry:
3-METHYL-4-PYRIDINECARBOXYLIC ACID is used as a key intermediate in the synthesis of 4,5-dihydro-1H-pyrazole derivatives, which serve as cholesterol 24 hydroxylase inhibitors. These inhibitors are crucial for the prevention and/or treatment of neurodegenerative diseases, such as Alzheimer's disease, Parkinson's disease, and other conditions related to cognitive decline.
Used in Neurodegenerative Disease Treatment:
3-METHYL-4-PYRIDINECARBOXYLIC ACID is used as a precursor for the development of novel therapeutic agents targeting cholesterol 24 hydroxylase, an enzyme involved in the metabolism of cholesterol in the brain. Inhibition of this enzyme has been shown to have potential benefits in the treatment of neurodegenerative diseases by modulating cholesterol levels and reducing the formation of toxic metabolites that contribute to neuronal damage.

InChI:InChI=1/C7H7NO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4H,1H3,(H,9,10)

Upstream product

• 583-58-4 3,4-Lutidin 
• 116985-92-3 Methyl 3-methylpyridine-4-carboxylate 
• 1681-36-3 4-chloro-3-methylpyridine 
• 88329-56-0 3,N-dimethylisonicotinanilide 
• 7584-05-6 3-methyl-4-cyanopyridine 

Downstream Products

• 1192021-05-8 N-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-methylisonicotinamide 
• 116986-14-2 3-(bromomethyl)pyridine-4-carbonitrile 
• 577993-80-7 3-methylpyridine-4-carboxylic acid hydrochloride 
• 176178-87-3 3-methylisonicotinohydrazide 
• 883557-46-8 {5-[3-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-(3-trifluoromethyl-phenyl)-amine 
• 883557-80-0 {5-[3-((E)-2-Pyridin-4-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-(3-trifluoromethyl-phenyl)-amine 
• 883557-63-9 {5-[3-((E)-2-Pyridin-4-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-(4-trifluoromethyl-phenyl)-amine 
• 883557-62-8 {5-[3-((E)-2-Pyridin-4-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-(4-trifluoromethoxy-phenyl)-amine 
• 883557-61-7 [4-(Chloro-difluoro-methoxy)-phenyl]-{5-[3-((E)-2-pyridin-4-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-amine 
• 883557-68-4 {5-[3-((E)-2-Pyridin-4-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-(3-trifluoromethoxy-phenyl)-amine 
• 883557-54-8 (4-tert-butyl-phenyl)-{5-[3-(2-pyridin-4-yl-vinyl)-pyridin-4-yl]-[1,3,4]oxadiazol-2-yl}-amine 

Relevant articles and documents

COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE

Described herein are compounds of Formula (I) or a pharmaceutically acceptable salt thereof. The compounds of Formula I act as Cyp8b1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for diabetes and cardiovascular disease.

AZAINDENOISOQUINOLINE TOPOISOMERASE I INHIBITORS

The invention described herein pertains to substituted azaindenoisoquinoline compounds, in particular 7-, 8-, 9-, and 10-azaindenoisoquinoline compounds, which are inhibitors of topoisomerase I, processes and intermediates for their syntheses, pharmaceutical compositions of the compounds, and methods of using them in the treatment of cancer.

Azaindenoisoquinolines as topoisomerase i inhibitors and potential anticancer agents: A systematic study of structure-activity relationships

A comprehensive study of a series of azaindenoisoquinoline topoisomerase I (Top1) inhibitors is reported. The synthetic pathways have been developed to prepare 7-, 8-, 9-, and 10-azaindenoisoquinolines. The present study shows that 7-azaindenoisoquinolines possess the greatest Top1 inhibitory activity and cytotoxicity. Additionally, the introduction of a methoxy group into the D-ring of 7-azaindenoisoquinolines improved their biological activities, leading to new lead molecules for further development. A series of QM calculations were performed on the model "sandwich" complexes of azaindenoisoquinolines with flanking DNA base pairs from the Drug-Top1-DNA ternary complex. The results of these calculations demonstrate how changes in two forces contributing to the π-π stacking (dispersion and charge-transfer interactions) affect the binding of the drug to the Top1-DNA cleavage complex and thus modulate the drug's Top1 inhibitory activity.