84832-02-0

Basic information

• Product Name: METHYL 3-AMINO-2,6-DIFLUOROBENZOATE
• Synonyms: METHYL 3-AMINO-2,6-DIFLUOROBENZOATE;Methyl 3-amino-2,6-difluorophenylacetate;Methyl3-aMino-2,6-difluorobenzoatehydrochloride;3-(Carboxymethyl)-2,4-difluoroaniline;2,4-Difluoro-3-(methoxycarbonyl)aniline;Benzoic acid,3-aMino-2,6-difluoro-, Methyl ester;3-amino-2,6-difluorophenylacetate
• CAS NO: 84832-02-0
• Molecular Formula: C₈H₇F₂NO₂
• Molecular Weight: 187.1434864
• Mol File: 84832-02-0.mol

Chemical Properties

• Boiling Point: 295.714 °C at 760 mmHg
• Flash Point: 132.643 °C
• Appearance: /
• Density: 1.356 g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.524
• PKA: 2.12±0.10(Predicted)
• CAS DataBase Reference: METHYL 3-AMINO-2,6-DIFLUOROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-AMINO-2,6-DIFLUOROBENZOATE(84832-02-0)
• EPA Substance Registry System: METHYL 3-AMINO-2,6-DIFLUOROBENZOATE(84832-02-0)

Safety Data

• Hazardous Substances Data: 84832-02-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 3-AMINO-2,6-DIFLUOROBENZOATE is utilized as a key intermediate in the synthesis of a range of drugs and pharmaceuticals. Its unique structure allows for the development of new therapeutic agents with potential applications in treating various diseases and conditions.
Used in Agrochemical Production:
METHYL 3-AMINO-2,6-DIFLUOROBENZOATE also serves as a building block in the creation of agrochemicals, which are essential for enhancing crop protection and yield. Its incorporation into these products can contribute to the development of more effective and targeted agrochemicals.
Used in Dye Manufacturing:
METHYL 3-AMINO-2,6-DIFLUOROBENZOATE is employed in the production of dyes, where its chemical properties can be leveraged to create dyes with specific characteristics, such as color intensity or stability.
Used in Fine Chemicals Synthesis:
METHYL 3-AMINO-2,6-DIFLUOROBENZOATE is also used as a component in the synthesis of fine chemicals, which are high-purity chemicals used in various industries, including pharmaceuticals, fragrances, and flavors.
Used in Research and Development:
METHYL 3-AMINO-2,6-DIFLUOROBENZOATE holds potential in the realm of research and development, particularly in organic chemistry and drug discovery. Its unique properties make it a valuable tool for exploring new chemical reactions and the creation of novel compounds with potential applications in medicine and other fields.

InChI:InChI=1/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,11H2,1H3

Upstream product

• 125568-79-8 methyl 3-azido-2,6-difluorobenzoate 
• 108-88-3 toluene 
• 13671-00-6 methyl 2,6-difluorobenzoate 
• 385-00-2 2,6-difluorobenzoic acid 
• 83141-10-0 2,6-difluoro-3-nitrobenzoic acid 
• 109-89-7 diethylamine 
• 84832-01-9 methyl 2,6-difluoro-3-nitrobenzoate 
• 563-79-1 2,3-Dimethyl-2-butene 

Downstream Products

• 125568-79-8 methyl 3-azido-2,6-difluorobenzoate 
• 84832-03-1 3-hydroxymethyl-2,4-difluoroaniline 
• 125568-85-6 methyl N-benzyl-3-amino-2,6-difluorobenzoate 
• 1186607-05-5 Raf inhibitor a 
• 1422540-39-3 2,6-difluoro-N-(3-hydroxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamido)benzamide 
• 1186223-50-6 methyl 2,6-difluoro-3-(propylsulfonamido)benzoate 
• 1268831-51-1 methyl 2,6-difluoro-3-(N-methylpropylsulfonamido)benzoate 
• 1268831-11-3 propane-1-sulfonic acid {2,4-difluoro-3-[3-methyl-3-(9H-purin-6-yl)ureido]phenyl}amide 
• 1268831-50-0 propane-1-sulfonic acid {2,4-difluoro-3-[3-(3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-yl)ureido]phenyl}methylamide 
• 1268831-53-3 phenyl 2,6-difluoro-3-(N-methylpropylsulfonamido)phenylcarbamate 
• 1268831-52-2 N-(3-amino-2,4-difluorophenyl)-N-methylpropane-1-sulfonamide 
• 1225192-40-4 2,6-difluoro-3-(N-methylpropylsulfonamido)benzoic acid 
• 1268830-96-1 phenyl 2,6-difluoro-3-(propylsulfonamido)phenylcarbamate 
• 1269667-18-6 4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid [2,6-difluoro-3-(propane-1-sulfonylamino)phenyl]amide 

Relevant articles and documents

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

The mitogen-activated protein kinase (MAP) kinase 4 (MKK4) was found to be a major regulator of liver regeneration and could be a valuable drug target addressing liver related diseases by restoring its intrinsic regenerative capacity. We report on the synthesis and optimization of novel MKK4 inhibitors following a target-hopping strategy from the FDA-approved BRAFV600E inhibitor PLX4032 (8). Applying an iterative multi-parameter optimization process we carved out essential structural features yielding in compounds with a low nanomolar affinity for MKK4 and excellent selectivity profiles against the main off-targets MKK7 and JNK1, which, upon relevant inhibition, would totally abrogate the pro-regenerative effect of MKK4 inhibition, as well as against the off-targets MAP4K5, ZAK and BRAF with selectivity factors ranging from 40 to 430 for our best-balanced compounds 70 and 73.

COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS

Provided herein are compounds of the Formula I: and pharmaceutically acceptable salts, solvates and polymorphs thereof, wherein L, X1, R1, R2, R3, R4, R5 and R6 are as defined herein, for the treatment of BRAF-associated diseases and disorders, including BRAF-associated tumors, including malignant and benign BRAF-associated tumors of the CNS and malignant extracranial BRAF-associated tumors.

TRICYCLIC PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH

The invention relates totricyclic compounds which are MKK4(mitogen-activated protein kinase kinase 4) inhibitors which selectively inhibit protein kinase kinase MKK4 over protein kinases JNK and MKK7. They are useful for promoting liver regeneration or re

Denitrified purine compound and pharmaceutical composition, preparation method and application thereof

The invention relates to denitrified purine compound which has a structure as a following general formula 1, a preparation method of the denitrified purine compound, a pharmaceutical composition containing the denitrified compound and application of the denitrified compound. The compound has selective B-Raf V600E mutation cancer cell inhibition activity, so that the denitrified purine compound disclosed by the invention and the pharmaceutical composition of the denitrified purine compound can be applied to preparing medicine for treating tumor or cancer.

PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH

The invention relates to MKK4 (mitogen-activated protein kinase 4) and their use in promoting liver regeneration or reducing or preventing hepatocyte death. The MKK4 inhibitors selectively inhibit protein kinase MKK4 over protein kinases JNK and MKK7.

Protein kinase inhibitor and its composition and use thereof

The invention relates to compounds as shown in the general formula (I), pharmaceutical compositions containing the compounds, a method for treating diseases and disease symptoms related to abnormal activity of protein kinase by using the compounds, and medicinal use of the compounds.

Docking-based structural splicing and reassembly strategy to develop novel deazapurine derivatives as potent B-Raf V600E inhibitors

The mutation of B-Raf V600E is widespread in a variety of human cancers. Its inhibitors vemurafenib and dabrafenib have been launched as drugs for treating unresectable melanoma, demonstrating that B-Raf V600E is an ideal drug target. This study focused on developing novel B-Raf V600E inhibitors as drug leads against various cancers with B-Raf V600E mutation. Using molecular modeling approaches, 200 blockbuster drugs were spliced to generate 283 fragments followed by molecular docking to identify potent fragments. Molecular structures of potential inhibitors of B-Raf V600E were then obtained by fragment reassembly followed by docking to predict the bioactivity of the reassembled molecules. The structures with high predicted bioactivity were synthesized, followed by in vitro study to identify potent B-Raf V600E inhibitors. A highly potent fragment binding to the hinge area of B-Raf V600E was identified via a docking-based structural splicing approach. Using the fragment, 14 novel structures were designed by structural reassembly, two of which were predicted to be as strong as marketed B-Raf V600E inhibitors. Biological evaluation revealed that compound 1m is a potent B-Raf V600E inhibitor with an IC 50 value of 0.05 μmol/L, which was lower than that of vemurafenib (0.13 μmol/L). Moreover, the selectivity of 1m against B-Raf WT was enhanced compared with vemurafenib. In addition, 1m exhibits desirable solubility, bioavailability and metabolic stability in in vitro assays. Thus, a highly potent and selective B-Raf V600E inhibitor was designed via a docking-based structural splicing and reassembly strategy and was validated by medicinal synthesis and biological evaluation.

Synthesis of 2,6-difluoro-N-(3-[11C]methoxy-1H-pyrazolo[3,4-b] pyridine-5-yl)-3-(propylsulfonamidio)benzamide as a new potential PET agent for imaging of B-RafV600E in cancers

The authentic standard 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b] pyridine-5-yl)-3-(propylsulfonamidio)benzamide was synthesized from 2,6-difluorobenzoic acid and 3-amino-5-hydroxypyrazole in 9 steps with 1% overall chemical yield. Direct desmethylation

KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF

The invention provides a compound represented by formula (I) which may modulate a kinase, and a pharmaceutical composition thereof, as well as the method for preventing or treating a protein kinase mediated disease or condition.

HETEROCYCLIC SULFONAMIDES AS RAF INHIBITORS

Compounds of Formula (I) are useful for inhibition of Raf kinases. Methods of using compounds of Formula (I), stereoisomers, tautomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.