475216-25-2

Basic information

• Product Name: 4-fluoro-3-nitro-N-methylbenzamide
• Synonyms: 4-fluoro-3-nitro-N-methylbenzamide;4-Fluoro-N-methyl-3-nitro-benzamide
• CAS NO: 475216-25-2
• Molecular Formula: C₈H₇FN₂O₃
• Molecular Weight: 198.1511832
• Mol File: 475216-25-2.mol

Chemical Properties

• Boiling Point: 337.7±32.0 °C(Predicted)
• Appearance: /
• Density: 1.358±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 13.20±0.46(Predicted)
• CAS DataBase Reference: 4-fluoro-3-nitro-N-methylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-fluoro-3-nitro-N-methylbenzamide(475216-25-2)
• EPA Substance Registry System: 4-fluoro-3-nitro-N-methylbenzamide(475216-25-2)

Safety Data

• Hazardous Substances Data: 475216-25-2(Hazardous Substances Data)

Usage

Uses

4-Fluoro-N-methyl-3-nitrobenzamide

Upstream product

• 453-71-4 3-nitro-4-fluorobenzoic acid 
• 74-89-5 methylamine 
• 593-51-1 methylamine hydrochloride 

Downstream Products

• 1338346-13-6 N-methyl-4-{[2-(methyloxy)ethyl]amino}-3-nitrobenzamide 

Relevant articles and documents

Aryl imidazole derivative and application thereof

The invention relates to an aryl imidazole derivative and application thereof. The aryl imidazole derivative is a compound shown as a formula (I) in the description or pharmaceutically acceptable salt thereof. The invention also discloses application of the aryl imidazole derivative in preparation of drugs for treating cancers. The invention further discloses application of the aryl imidazole derivative in preparation of drugs for treating diseases caused by EGFR mutation.

BCAT MODULATION

This disclosure relates to, in part, the treatment of an organic acidemia in a subject in need thereof via administration of a therapeutically effective amount of compounds that inhibit BCAT2. The disclosure also relates to, in part, methods for identifying a candidate compound for treatment of organic acidemias.

A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands

Autophagy-related proteins (Atgs) drive the lysosome-mediated degradation pathway, autophagy, to enable the clearance of dysfunctional cellular components and maintain homeostasis. In humans, this process is driven by the mammalian Atg8 (mAtg8) family of proteins comprising the LC3 and GABARAP subfamilies. The mAtg8 proteins play essential roles in the formation and maturation of autophagosomes and the capture of specific cargo through binding to the conserved LC3-interacting region (LIR) sequence within target proteins. Modulation of interactions of mAtg8 with its target proteins via small-molecule ligands would enable further interrogation of their function. Here we describe unbiased fragment and DNA-encoded library (DEL) screening approaches for discovering LC3 small-molecule ligands. Both strategies resulted in compounds that bind to LC3, with the fragment hits favoring a conserved hydrophobic pocket in mATG8 proteins, as detailed by LC3A-fragment complex crystal structures. Our findings demonstrate that the malleable LIR-binding surface can be readily targeted by fragments; however, rational design of additional interactions to drive increased affinity proved challenging. DEL libraries, which combine small, fragment-like building blocks into larger scaffolds, yielded higher-affinity binders and revealed an unexpected potential for reversible, covalent ligands. Moreover, DEL hits identified possible vectors for synthesizing fluorescent probes or bivalent molecules for engineering autophagic degradation of specific targets.

Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors

To identify BCATm inhibitors suitable for in vivo study, Encoded Library Technology (ELT) was used to affinity screen a 117 million member benzimidazole based DNA encoded library, which identified an inhibitor series with both biochemical and cellular activities. Subsequent SAR studies led to the discovery of a highly potent and selective compound, 1-(3-(5-bromothiophene-2-carboxamido)cyclohexyl)-N-methyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamide (8b) with much improved PK properties. X-ray structure revealed that 8b binds to the active site of BACTm in a unique mode via multiple H-bond and van der Waals interactions. After oral administration, 8b raised mouse blood levels of all three branched chain amino acids as a consequence of BCATm inhibition.

IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS

Disclosed are compounds having the formula: wherein R1A, R1B, R2 and R3 are as defined herein, and methods of making and using the same.

SUBSTITUTED BENZIMIDAZOLE COMPOUNDS

Disclosed are substituted benzimidazole compounds of formula (I) wherein R1, R2, R3, R4 and Xa are defined herein. The compounds of the invention inhibit Itk kinase and are therefore useful for treating diseases and pathological conditions involving inflammation, immunological disorders and allergic disorders. Also disclosed are processes for preparing these compounds and the pharmaceutical compositions comprising these compounds.