1269232-93-0

Basic information

• Product Name: Benzoic acid, 3-broMo-5-chloro-2-fluoro-
• Synonyms: Benzoic acid, 3-broMo-5-chloro-2-fluoro-;Benzoic acid, 3-broMo-5-chloro-2-fluoro-3
• CAS NO: 1269232-93-0
• Molecular Formula: C₇H₃BrClFO₂
• Molecular Weight: 253.4529232
• Mol File: 1269232-93-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 321.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.887±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 2.51±0.10(Predicted)
• CAS DataBase Reference: Benzoic acid, 3-broMo-5-chloro-2-fluoro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3-broMo-5-chloro-2-fluoro-(1269232-93-0)
• EPA Substance Registry System: Benzoic acid, 3-broMo-5-chloro-2-fluoro-(1269232-93-0)

Safety Data

• Hazardous Substances Data: 1269232-93-0(Hazardous Substances Data)

Usage

General Description

Benzoic acid, 3-bromo-5-chloro-2-fluoro- is a chemical compound that belongs to the family of benzoic acids, which are commonly used as preservatives in a wide range of products such as food, pharmaceuticals, and personal care products. This specific compound is characterized by the presence of a benzene ring with a carboxylic acid group, along with bromine, chlorine, and fluorine substituents. It is used in various industrial applications such as the production of pharmaceuticals and agrochemicals. Additionally, it has potential uses in the synthesis of organic compounds and may also have biological activity that is of interest for research purposes.

Upstream product

• 1996-30-1 2-bromo-4-chloro-1-fluorobenzene 
• 124-38-9 carbon dioxide 
• 1269440-82-5 3-bromo-5-chloro-2-fluorobenzaldehyde 

Downstream Products

• 1269232-94-1 tert-butyl 3-bromo-5-chloro-2-fluorophenyl-carbamate 
• 1269232-95-2 3-bromo-5-chloro-2-fluoroaniline 
• 1269440-69-8 tert-butyl 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate: 
• 1269440-09-6 methyl N-[(2S)-1-[(4-{3-[5-chloro-2-fluoro-3-(propane-1-sulfonamido)phenyl]-1-(propan-2-yl)-1H-pyrazol-4-yl}pyrimidin-2-yl)amino]propan-2-yl]carbamate 
• 1269440-77-8 (S)-methyl 1-(4-(3-(5-chloro-2-fluoro-3-(tert-butoxycarbonylamino)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate 
• 1269440-78-9 (S)-methyl 1-(4-(3-(3-amino-5-chloro-2-fluorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate 
• 1269440-17-6 methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate 
• 1269440-99-4 (S)-methyl 1-(4-(3-(5-chloro-2-fluoro-3-(N-(methylsulfonyl)methylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate 
• 1353575-28-6 methyl-5-chloro-2-fluoro-3-pivalamidobenzoate 
• 1353575-61-7 N-(5-chloro-2-fluoro-3-(2-(2-(methylthio)pyrimidin-4-yl)acetyl)phenyl)pivalamide 
• 1353575-59-3 N-(3-(2-bromo-2-(2-(methylthio)pyrimidin-4-yl)acetyl)-5-chloro-2-fluorophenyl)pivalamide 
• 1353576-03-0 N-(3-(2-amino-5-(2-(methylthio)pyrimidin-4-yl)thiazol-4-yl)-5-chloro-2-fluorophenyl)pivalamide 
• 1353576-04-1 N-(3-(2-bromo-5-(2-(methylthio)pyrimidin-4-yl)thiazol-4-yl)-5-chloro-2-fluorophenyl)pivalamide 
• 1353576-05-2 N-(5-chloro-3-(2-cyclopropyl-5-(2-(methylthio)pyrimidin-4-yl)thiazol-4-yl)-2-fluorophenyl)pivalamide 

Relevant articles and documents

Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors

The epidermal growth factor receptor (EGFR) is genetically altered in nearly 60% of glioblastoma tumors; however, tyrosine kinase inhibitors (TKIs) against EGFR have failed to show efficacy for patients with these lethal brain tumors. This failure is attributed to the inability of clinically tested EGFR TKIs to cross the blood-brain barrier (BBB) and achieve adequate pharmacological levels to inhibit various oncogenic forms of EGFR that drive glioblastoma. Through SAR analysis, we developed compound 5 (JCN037) from an anilinoquinazoline scaffold by ring fusion of the 6,7-dialkoxy groups to reduce the number of rotatable bonds and polar surface area and by introduction of an ortho-fluorine and meta-bromine on the aniline ring for improved potency and BBB penetration. Relative to the conventional EGFR TKIs erlotinib and lapatinib, JCN037 displayed potent activity against EGFR amplified/mutant patient-derived cell cultures, significant BBB penetration (2:1 brain-to-plasma ratio), and superior efficacy in an EGFR-driven orthotopic glioblastoma xenograft model.

HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS

The present invention provides compounds of Formula (I): wherein R1, R2, R3, and X are as defined herein. The compounds of Formula (I) and pharmaceutical compositions thereof are useful for the treatment of cancer, and B-