116060-92-5

Basic information

• Product Name: 3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID
• Synonyms: 3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID;3-(4-Methoxybenzoic)-pyridine-2-carboxylic acid;3-(4-Methoxybenzoyl)picolinic acid
• CAS NO: 116060-92-5
• Molecular Formula: C₁₄H₁₁NO₄
• Molecular Weight: 257.24
• Mol File: 116060-92-5.mol

Chemical Properties

• Melting Point: 160-161 °C(Solv: benzene (71-43-2))
• Boiling Point: 506.4 °C at 760 mmHg
• Flash Point: 260 °C
• Appearance: /
• Density: 1.303 g/cm³
• Vapor Pressure: 4.48E-11mmHg at 25°C
• Refractive Index: 1.602
• PKA: 2.82±0.36(Predicted)
• CAS DataBase Reference: 3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID(116060-92-5)
• EPA Substance Registry System: 3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID(116060-92-5)

Safety Data

• Hazardous Substances Data: 116060-92-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(4-Methoxybenzoyl)-pyridine-2-carboxylic acid is used as a pharmaceutical compound for its potential applications in the development of drugs for various medical conditions. Its unique structure and properties may contribute to the discovery of new therapeutic agents.
Used in Drug Synthesis:
3-(4-Methoxybenzoyl)-pyridine-2-carboxylic acid is used as a building block for the synthesis of various organic compounds. Its chemical structure allows for further modification and incorporation into more complex molecules, potentially leading to the development of novel drugs with improved efficacy and safety profiles.
Used in Research and Development:
3-(4-Methoxybenzoyl)-pyridine-2-carboxylic acid is used as a subject of interest for research and development in the field of chemistry and pharmaceuticals. Its exploration can lead to a better understanding of its biological activities and potential applications, paving the way for the creation of innovative treatments and therapies.

InChI:InChI=1/C14H11NO4/c1-19-10-6-4-9(5-7-10)13(16)11-3-2-8-15-12(11)14(17)18/h2-8H,1H3,(H,17,18)

Upstream product

• 699-98-9 Pyridine-2,3-dicarboxylic anhydride 
• 100-66-3 methoxybenzene 
• 104-92-7 1-bromo-4-methoxy-benzene 

Downstream Products

• 862816-19-1 5-(4-methoxyphenyl)-7H-pyrido[2,3-d]pyridazin-8-one 
• 211630-10-3 8-(4-methoxyphenyl)-6H-pyrido[2,3-d]pyridazin-5-one 
• 23826-71-3 3-(4-methoxybenzoyl)pyridine 
• 874947-48-5 5-(4-methoxy-phenyl)-pyrido[3,2-d][1,2]oxazin-8-one 

Relevant articles and documents

6-Carboxy-5,7-diarylcyclopenteno[1,2-b]pyridine derivatives: a novel class of endothelin receptor antagonists.

Compounds (2-5) with a 6-carboxy-5,7-diarylcyclopentenopyridine skeleton were designed, synthesized, and identified as a new class of potent non-peptide endothelin receptor antagonists. The regio-isomer 2 was found to show potent inhibitory activity with an IC(50) value of 2.4 nM against (125)I-labeled ET-1 binding to human ET(A) receptors and a 170-fold selectivity for ET(A) over ET(B) receptors. Furthermore, 2 displayed more potent in vivo activity than did the indan-type compound 1 in a mouse ET-1 induced lethality model, suggesting the potential of 2 as a new lead structure. Derivatization on substituted phenyl groups at the 5- and 7-positions of 2 revealed that a 3,4-methylenedioxyphenyl group at the 5-position and a 4-methoxyphenyl group at the 7-position were optimal for binding affinity. Further derivatization of 2 by incorporating a substituent into the 2-position of the 4-methoxyphenyl group led to the identification of a more potent ET(A) selective antagonist 2p with an IC(50) value of 0.87 nM for ET(A) receptors and a 470-fold selectivity. In addition, 2p showed highly potent in vivo efficacy (AD(50): 0.04 mg/kg) in the lethality model.

Benzopyridazinone and pyridopyridazinone compounds

Benzo or pyridopyridazinones and pyridazinthiones of the formula STR1 wherein: X and Y are nitrogen or carbon, provided that at least one is carbon, and Z is oxygen or sulfur; R1 is hydrogen, lower alkyl, aryl, aralkyl, heterocyclo, heterocyclo lower-alkyl, heteroaryl, or heteroaralkyl; R2, R3, R4, R5 and R6 are independently selected from hydrogen, lower alkyl, halo, carboxy, alkoxycarbonyl, carbamoyl, lower-alkyl carbonyl, halocarbonyl, thiomethyl, trifluoromethyl, cyano or nitro; or a pharmaceutically acceptable ester, ether or salt thereof, have been found to be useful as an anti-inflammatory, antasthmatic, immunosuppressive, anti-allograft rejection, anti-graft-vs-host rejection, autoimmune disease or analgetic agent(s).

Heterocyclic compounds, their production and use as tachykinin reactor antagonists

A novel compound represented by the formula: STR1 wherein Ring A and Ring B respectively stands for an optionally substituted homo- or hetero-cyclic ring, and at least one of them stands for an optionally substituted heterocyclic ring stand; Ring C stands for an optionally substituted benzene ring; R stands for a hydrogen atom or an optionally substituted hydrocarbon residue; one of X and Y stands for --NR1 -- (R1 stands for a hydrogen atom or an optionally substituted hydrocarbon residue) or --O--, and the other stands for--CO-- or --CS--, or one of them stands for --N= and the other stands for =CR2 -- (R2 stands for a hydrogen atom, a halogen atom, an optionally substituted hydrocarbon residue, an optionally substituted amino group or an optionally substituted hydroxyl group); n denotes 1 or 2 or salts thereof which have an excellent tachykinin receptor antagonistic action and inhibitory action on plasma extravasation.