4664-61-3

Basic information

• Product Name: Benzeneacetic acid, 4-phenoxy-, methyl ester
• Synonyms: 4-Phenoxy-phenylessigsaeure-methylester
• CAS NO: 4664-61-3
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Mol File: 4664-61-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 122-131 °C(Press: 0.05 Torr)
• Density: 1.138±0.06 g/cm3(Predicted)
• CAS DataBase Reference: Benzeneacetic acid, 4-phenoxy-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 4-phenoxy-, methyl ester(4664-61-3)
• EPA Substance Registry System: Benzeneacetic acid, 4-phenoxy-, methyl ester(4664-61-3)

Safety Data

• Hazardous Substances Data: 4664-61-3(Hazardous Substances Data)

Upstream product

• 108-86-1 bromobenzene 
• 14199-15-6 Methyl 4-hydroxyphenylacetate 
• 98-80-6 phenylboronic acid 
• 67-56-1 methanol 
• 6328-74-1 4-phenoxyphenylacetic acid 

Downstream Products

• 467468-18-4 5-(4-phenoxyphenyl)-5-(piperazin-1-yl)pyrimidine-2,4,6 (1H,3H,5H)-trione 
• 467468-09-3 5-(4-(2(-2-hydroxyethoxy)ethyl)piperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-64-8 5-(4-((tetrahydrofuran-2-yl)methyl)piperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-65-9 5-(4-benzylpiperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-66-0 5-(4-butylpiperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-67-1 5-(4-acetylpiperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-68-2 5-(4-methylpiperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-69-3 5-(4-phenoxyphenyl)-5-(4-(cyclopropylmethyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-71-7 5-(4-acetyl-1,4-diazepan-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-70-6 5-(4-benzyl-1,4-diazepan-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-72-8 5-(4-methyl-1,4-diazepan-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-26-2 5-(1,4-diazepan-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-73-9 5-(4-(thiophene-2-carbonyl)piperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 
• 1333167-74-0 5-((4-(4-cyanobenzoyl))piperazin-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione 

Relevant articles and documents

Discovery and Evaluation of Pyrazolo[3,4-d]pyridazinone as a Potent and Orally Active Irreversible BTK Inhibitor

The identification and lead optimization of a series of pyrazolo[3,4-d]pyridazinone derivatives are described as a novel class of potent irreversible BTK inhibitors, resulting in the discovery of compound 8. Compound 8 exhibited high potency against BTK kinase and acceptable PK profile. Furthermore, compound 8 demonstrated significant in vivo efficacy in a mouse-collagen-induced arthritis (CIA) model.

Synthesis and structure activity relationships of cyanopyridone based anti-tuberculosis agents

Mycobacterium tuberculosis, the causative agent of tuberculosis, relies on thymidylate kinase (MtbTMPK) for the synthesis of thymidine triphosphates and thus also DNA synthesis. Therefore, this enzyme constitutes a potential Achilles heel of the pathogen. Based on a previously reported MtbTMPK 6-aryl-substituted pyridone inhibitor and guided by two co-crystal structures of MtbTMPK with pyridone- and thymine-based inhibitors, we report the synthesis of a series of aryl-shifted cyanopyridone analogues. These compounds generally lacked significant MtbTMPK inhibitory potency, but some analogues did exhibit promising antitubercular activity. Analogue 11i demonstrated a 10-fold increased antitubercular activity (MIC H37Rv, 1.2 μM) compared to literature compound 5. Many analogues with whole-cell antimycobacterial activity were devoid of significant cytotoxicity.

BTK INHIBITOR

Provided are a series of BTK inhibitors, and specifically disclosed are a compound, pharmaceutically acceptable salt thereof, tautomer thereof or prodrug thereof represented by formula (I), (II), (III) or (IV).