222986-51-8

Basic information

• Product Name: 4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID
• Synonyms: AKOS BAR-0665;4-(6-AMINO-3-PYRIDINYL)BENZOIC ACID;4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID
• CAS NO: 222986-51-8
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• Product Categories: pharmacetical
• Mol File: 222986-51-8.mol

Chemical Properties

• Boiling Point: 438.7±35.0 °C(Predicted)
• Appearance: /
• Density: 1.316±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 3.62±0.10(Predicted)
• CAS DataBase Reference: 4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID(222986-51-8)
• EPA Substance Registry System: 4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID(222986-51-8)

Safety Data

• Hazardous Substances Data: 222986-51-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID is used as a key intermediate in the synthesis of pharmaceuticals for its potential to contribute to the development of novel molecules with therapeutic effects. Its unique structure allows for the creation of compounds that can target specific biological pathways, offering new treatment options for various diseases and conditions.
Used in Agrochemical Industry:
In the agrochemical industry, 4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID serves as a valuable building block in the synthesis of agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can enhance their effectiveness in controlling pests and weeds, contributing to increased crop yields and improved agricultural productivity.
Used in Organic Synthesis:
4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID is utilized as an intermediate in organic synthesis, where its unique structure and properties can be leveraged to create a wide range of novel molecules. This allows researchers and chemists to explore new chemical reactions and develop innovative compounds with diverse applications in various fields.
Used in Material Development:
4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID also finds application in the development of new materials, where its unique structure can be employed to create materials with specific properties. These materials can be used in various industries, such as electronics, coatings, and adhesives, where their unique characteristics can provide enhanced performance and functionality.

Upstream product

• 1072-97-5 5-bromo-2-pyridylamine 
• 586-76-5 4-Bromobenzoic acid 

Relevant articles and documents

Design, synthesis, and biological evaluation of novel Bcr-AblT315I inhibitors incorporating amino acids as flexible linker

Despite the success of imatinib in CML therapy through Bcr-Abl inhibition, acquired drug resistance occurs over time in patients. In particular, the resistance caused by T315I mutation remains a challenge in clinic. Herein, we embarked on a structural optimization campaign aiming at discovery of novel Bcr-Abl inhibitors toward T315I mutant based on previously reported dibenzoylpiperazin derivatives. We proposed that incorporation of flexible linker could achieve potent inhibition of Bcr-AblT315I by avoiding steric clash with bulky sidechain of Ile315. A library of 28 compounds with amino acids as linker has been developed and evaluated. Among them, compound AA2 displayed the most potent activity against Bcr-AblWT and Bcr-AblT315I, as well as toward Bcr-Abl driven K562 and K562R cells. Further investigations indicated that AA2 could induce apoptosis of K562 cells and down regulate phosphorylation of Bcr-Abl. In summary, the compounds with amino acid as novel flexible linker exhibited certain antitumor activities, providing valuable hints for the discovery of novel Bcr-Abl inhibitors to overcome T315I mutant resistance, and AA2 could be considered as a candidate for further optimization.

Sulfonyl derivatives

Sulfonyl derivatives represented by general formula (I), salts of the same, and solvates of both: and application of them as drugs: [wherein R1is hydrogen, hydroxyl, nitro or the like; R2and R3are each independently hydrogen, halogeno or the like; R4and R5are each dependently hydrogen, halogeno or the like; Q1is an optionally substituted saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group or the like; Q2is a single bond, oxygen or the like; Q3is, e.g., a group represented by formula (a): T1is carbonyl or the like; and X1and X2are each independently methylidyne or nitrogen]. These compounds exhibit potent Fxa inhibiting activities and serve as excellent anticoagulants which speedily exert satisfactory and persistent anti-thrombotic effects through oral administration and little cause adverse effects.

NOVEL SULFONYL DERIVATIVES

Sulfonyl derivatives represented by the following general formula (I): Q1-Q2-T1-Q3-SO2-QA and drugs containing the same (wherein Q1 is an optionally substituted, saturated or unsaturated, five- or six-membered cyclic hydrocarbon group, a five- or six-membered heterocyclic group, or the like; Q2 is a single band, oxygen, sulfur, C1-C6 alkylene or the like; QA is optionally substituted arylalkenyl, heteroarylalkenyl or the like; and T1 is carbonyl or the like). These compounds have potent FXa-inhibitory effects and promptly exert satisfactory and persistent antithrombotic effects through oral administration, thus being useful as anticoagulant agents little accompanied with side effects.