84832-01-9

Basic information

• Product Name: METHYL 2,6-DIFLUORO-3-NITROBENZOATE
• Synonyms: METHYL 2,6-DIFLUORO-3-NITROBENZOATE;Benzoic acid,2,6-difluoro-3-nitro-, methyl ester (Related Reference)
• CAS NO: 84832-01-9
• Molecular Formula: C₈H₅F₂NO₄
• Molecular Weight: 217.1264064
• Mol File: 84832-01-9.mol

Chemical Properties

• Melting Point: 59.0 to 63.0 °C
• Boiling Point: 151°C/9mmHg(lit.)
• Flash Point: 146.315 °C
• Appearance: /Solid
• Density: 1.471 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: METHYL 2,6-DIFLUORO-3-NITROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2,6-DIFLUORO-3-NITROBENZOATE(84832-01-9)
• EPA Substance Registry System: METHYL 2,6-DIFLUORO-3-NITROBENZOATE(84832-01-9)

Safety Data

• Hazardous Substances Data: 84832-01-9(Hazardous Substances Data)

Usage

Uses

Used in Research and Development:
METHYL 2,6-DIFLUORO-3-NITROBENZOATE is used as a key component in the research and development field for the production and synthesis of other complex compounds in laboratories. Its unique properties, derived from the presence of nitro, ester, and fluoro substituents, make it a valuable asset in the creation of new chemical entities and materials.
Used in Chemical Synthesis:
In the chemical synthesis industry, METHYL 2,6-DIFLUORO-3-NITROBENZOATE is utilized as a starting material or intermediate in the production of various organic compounds. Its versatile structure allows for further reactions and modifications, enabling the development of new molecules with specific properties and applications.
Used in Pharmaceutical Industry:
METHYL 2,6-DIFLUORO-3-NITROBENZOATE may be employed as a building block in the synthesis of pharmaceutical compounds, particularly those with potential therapeutic applications. Its unique structure and properties can contribute to the development of new drugs with improved efficacy and selectivity.
Used in Material Science:
In the field of material science, METHYL 2,6-DIFLUORO-3-NITROBENZOATE can be used as a component in the development of advanced materials with specific properties, such as high thermal stability, chemical resistance, or unique optical characteristics. Its incorporation into polymers or other materials can lead to the creation of novel materials with enhanced performance.

Upstream product

• 67-56-1 methanol 
• 83141-10-0 2,6-difluoro-3-nitrobenzoic acid 
• 385-00-2 2,6-difluorobenzoic acid 
• 13671-00-6 methyl 2,6-difluorobenzoate 

Downstream Products

• 84832-02-0 methyl 3-amino-2,6-difluorobenzoate 
• 84832-03-1 3-hydroxymethyl-2,4-difluoroaniline 
• 84832-05-3 2-[(2,4-Difluoro-3-hydroxymethyl-phenylamino)-methylene]-malonic acid diethyl ester 
• 84832-07-5 diethyl 2-(3-acetoxymethyl-2,4-difluoroanilino)methylenemalonate 
• 125568-79-8 methyl 3-azido-2,6-difluorobenzoate 
• 125568-98-1 2,2,3,3-tetramethyl-1-(4,6-difluoro-5-carbomethoxyphenyl)aziridine 
• 125568-85-6 methyl N-benzyl-3-amino-2,6-difluorobenzoate 
• 125568-92-5 3,3'-dicarbomethoxy-2,2',4,4'-tetrafluoroazobenzene 
• 346691-23-4 methyl 2-amino-6-fluoro-3-nitrobenzoate 
• 1268830-89-2 methyl 6-fluoro-2-methoxy-3-nitrobenzoate 
• 1103234-56-5 2,6-difluoro-3-(propane-1-sulfonylamino)benzoic acid 
• 1103234-57-6 N-(3-amino-2,4-difluorophenyl)propane-1-sulfonamide 
• 1186193-95-2 methyl 2,6-difluoro-3-(N-(propylsulfonyl)propylsulfonamido)benzoate 
• 1186193-96-3 2,6-difluoro-3-(N-(propylsulfonyl)(propylsulfonamido))benzoic acid 

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.

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.

Benzimidazole-2-piperazine compound, its pharmaceutical composition and its preparation and use

The invention relates to a benzimidazole-2-piperazine derivative and a preparing method and application of the benzimidazole-2-piperazine derivative in medicine, in particular to a novel benzimidazole-2-piperazine derivative shown in the general formula (I), a preparing method of the derivative, a pharmaceutical composition containing the derivative and application of the derivative serving as a therapeutic agent, especially serving as a poly (ADP-ribose) polymerase (PARP) inhibitor. In the general formula (I), R refers to hydrogen or halogen, G refers to carbonyl or methylene, m is 1-2, n is 1-3, and Q refers to hydrogen or C1-C4 alkyl. When X is methylene and Y is NR1 or methylene, X is NR1; R1 refers to hydrogen, C1-C6 alkyl, benzyl, COR2 or SO2R2; R2 refers to the following groups which are not substituted or groups substituted by 1-3 substituent groups, including C1-C6 alkyl, C3-C8 naphthenic base, phenyl, benzyl, naphthyl and C5-C10 aromatic heterocycle base, heterocycle in the C5-C10 aromatic heterocycle base comprises 1-3 heteroatoms selected from N, O and S, and the substituent groups are selected from the following atoms or groups of C1-C6 alkyl, C1-C6 alkoxy, halogen, amidogen, nitryl, sulfydryl, hydroxyl, cyanogroup and trifluoromethyl. The general formula (I) is shown in the specification.

2,5-diazabicyclo [2.2.1] iieptanes and method of preparation, pharmaceutical compositions thereof and its application in medicine

The present invention relates to a class of 2,5-diazabicyclo[2.2.1]heptane derivatives and a preparation thereof, pharmaceutical compositions of the 2,5-diazabicyclo[2.2.1]heptane derivatives, and medical uses of the 2,5-diazabicyclo[2.2.1]heptane derivat

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.