17302-46-4

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 5-NITROSALICYLATE is used as an anti-inflammatory agent for its ability to alleviate symptoms associated with colitis. The compound works by targeting the underlying inflammation in the colon, providing relief and potentially aiding in the treatment of the condition.

InChI:InChI=1/C8H7NO5/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,10H,1H3/p-1

Upstream product

• 119-36-8 methyl salicylate 
• 67-56-1 methanol 
• 1641-03-8 4-hydroxy-6-nitro-2H-chromene-2-one 
• 93360-60-2 4-chloro-3,6-dinitrocoumarin 
• 618-95-1 methyl 3-nitrobenzoate 
• 96-97-9 5-nitrosalicylic acid 
• 105-45-3 acetoacetic acid methyl ester 
• 124-41-4 sodium methylate 
• 3223-20-9 5-nitrosalicyloyl chloride 
• 69-72-7 salicylic acid 
• 666857-90-5 cis-methyl 3-(pyrrolidin-1-yl)but-2-enoate 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 13736-92-0 2-butanoyloxy-5-nitrobenzoic acid 
• 57148-23-9 2-ethoxy-5-nitro-benzoic acid 
• 130839-94-0 C₃₃H₃₀N₆O₁₈ 
• 114259-78-8 1-(2-Hydroxy-5-nitrobenzoyl)pyrrolidine 
• 632626-83-6 2-difluoromethoxy-5-nitro-benzoic acid methyl ester 
• 34841-11-7 methyl 2-methoxy-5-nitrobenzoate 
• 936346-52-0 2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-5-nitro-benzoic acid methyl ester 
• 936346-55-3 (2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-5-nitrobenzoylamino)-acetic acid methyl ester 
• 936346-63-3 3,5-bis-[2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-5-nitro-benzoylamino)-acetylamino]-benzoic acid 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl ester 
• 936352-98-6 5-amino-2-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzoic acid methyl ester 
• 600736-30-9 2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-5-nitro-benzoic acid 
• 13736-58-8 2-(octyloxy)-5-nitro-benzoic acid 
• 267897-52-9 N-((ethoxycarbonyl)methyl)-5-amino-2-(octyloxy)benzamide 
• 267897-50-7 N-((ethoxycarbonyl)methyl)-2-(octyloxy)-5-nitrobenzamide 

Relevant academic research and scientific papers

Stereoisomers and functional groups in oxidorhenium(v) complexes: Effects on catalytic activity

The syntheses of oxidorhenium(v) complexes [ReOCl(L1a-c)2] (3a-c), equipped with the bidentate, mono-anionic phenol-dimethyloxazoline ligands HL1a-c are described. Ligands HL1b-c contain functional groups on the phenol ring, compared to parent ligand 2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-phenol H1a; namely a methoxy group ortho to the hydroxyl position (2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-methoxyphenol, H1b), or a nitro group para to the hydroxyl position (2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4-nitrophenol, H1c). Furthermore, oxidorhenate(v) complexes (NBu4)[ReOCl3(L1a-b)] (2a-b) were synthesized for solid state structural comparisons to 3a-b. All novel complexes are fully characterized including NMR, IR and UV-Vis spectroscopy, MS spectrometry, X-ray crystallography, elemental analysis as well as cyclic voltammetry. The influence of functional groups (R = -H, -OMe and -NO2) on the catalytic activity of 3a-c was investigated in two benchmark catalytic reactions, namely cyclooctene epoxidation and perchlorate reduction. In addition, the previously described oxidorhenium(v) complex [ReOCl(oz)2] (4), employing the phenol-oxazoline ligand 2-(4,5-dihydro-2-oxazolyl)phenol Hoz, was included in these catalysis studies. Complex 4 is a rare case in oxidorhenium(v) chemistry where two stereoisomers could be separated and fully characterized. With respect to the position of the oxazoline nitrogen atoms on the rhenium atom, these two stereoisomers are referred to as N,N-cis and N,N-trans isomer. A potential correlation between spectroscopic and structural data to catalytic activity was evaluated.

Coordination-mediated radical nitration of methyl salicylate by ferric nitrate

Nitration of methyl salicylate was performed by ferric nitrate in refluxing ethyl acetate solution. A coordination-mediated radical nitration process was proposed based on the results of electronic absorption spectra, cyclic voltammetry and electrospray ionization mass spectra. It was the coordination of methyl salicylate with ferric nitrate that promoted the splitting of N-O bonds of nitrate group in ferric nitrate and resulted in the formation of nitro radicals, oxygen radicals and complex radicals. The nitro radicals reacted with methyl salicylate or its complexes with iron to give a series of nitration products and Fe(II) ions. Meanwhile, oxygen radicals hydrolyzed to hydroxide which precipitated free ferric ions to isolate solid ferric oxides.

Reliable folding of hybrid tetrapeptides into short β-hairpins

Five hybrid tetrapeptides, each consisting a central dipeptide segment of α-amino acid residues flanked by two aromatic γ-amino acid residues, are found to fold into well-defined β-hairpin conformations as shown by NMR, computational study, and X-ray structures. The turn loop of this β-hairpin motif accommodates different two-residue α-amino acid sequences from the highly flexible Gly-Gly, to the more restricted D-Pro-Gly. The presence of α-amino acid side chains enhances the stabilities of the β-hairpins with the exception of D-Pro-Gly-which results in destabilization. Based on this hairpin/turn motif, a variety of different dipeptide sequences of α-amino acids which rarely occur in β-turns can be introduced and presented as two-residue loops.

MODIFIED PROTEINS AND PROTEIN DEGRADERS

Provided herein are compounds, pharmaceutical compositions, and methods for binding or degrading target proteins. Further provided herein are compounds having a DNA damage-binding protein 1 (DDB1) binding moiety. Some such embodiments include a linker. Some such embodiments include a target protein binding moiety. Further provided herein are ligand-DDB1 complexes. Further provided herein are in vivo modified DDB1 proteins.

BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS

Compounds, tautomers and pharmaceutically acceptable salts of the compounds of Formula (Ia) are disclosed which are inhibitors of lnterleukin-1 receptor associated kinase (IRAK4). Methods of treatment, methods of synthesis, and intermediates are also disclosed as defined in the specification.

Novel substituted sulfamide compound, preparation method and application thereof as PTP1B inhibitor

The invention relates to a novel substituted sulfamide compound of a structure of a formula I as shown in the description, a pharmaceutically acceptable salt of the novel substituted sulfamide compound, a preparation method, and relates to a medicinal composition comprising the compound of the formula I or a pharmaceutically acceptable salt of the compound. The compound of the formula I or the pharmaceutically acceptable salt of the compound has activity of inhibiting protein tyrosine phosphatase 1B (PTP1B), so that the compound or the pharmaceutically acceptable salt of the compound has an application of preparing a medicine for preventing/treating symptoms or diseases such as hyperglycemia and type-2 diabetes.

Calcium Coordination Solids for pH-Triggered Release of Olsalazine

Calcium coordination solids were synthesized and evaluated for delivery of olsalazine (H4olz), an anti-inflammatory compound used for treatment of ulcerative colitis. The materials include one-dimensional Ca(H2olz)?4 H2O chains, two-dimensional Ca(H2olz)?2 H2O sheets, and a three-dimensional metal-organic framework Ca(H2olz)?2DMF (DMF=N,N-dimethylformamide). The framework undergoes structural changes in response to solvent, forming a dense Ca(H2olz) phase when exposed to aqueous HCl. The compounds Ca(H2olz)?x H2O (x=0, 2, 4) were each pressed into pellets and exposed to simulated gastrointestinal fluids to mimic the passage of a pill from the acidic stomach to the pH-neutral intestines. All three calcium materials exhibited a delayed release of olsalazine relative to Na2(H2olz), the commercial formulation, illustrating how formulation of a drug within an extended coordination solid can serve to tune its solubility and performance.

High-selectivity direct diazotization method for inducing phenolic ester and oxynitride through metal coordination

The invention discloses a high-selectivity direct diazotization method for inducing phenolic ester and oxynitride through metal coordination. The method comprises the following steps: adding metal salt into a solution of a phenolic ester compound, so as to enable the metal salt to be coordinated with phenolic ester and to activate a carbon-carbon bond aligned with a phenolic hydroxyl group. Activated phenolic ester can directly react with the oxynitride at low temperature or normal temperature, so as to form heavy oxynitride and separate out solid diazonium salt, and a required product can be obtained only through a simple liquid-solid separation method. Reaction liquid can be recycled after reactants are replenished and the acidity of the solution is adjusted. The method avoids two reaction steps that are nitration and reduction to form amino compound in the existing method, and the product can be directly obtained through one step. The method not only solves the problem of diazotization of a major type of non-active aromatic compounds, but also can utilize various oxynitride waste gas and even utilize sulfur-containing oxide waste gas as a reactant, changes waste materials into things of value, and is applied to the treatment of industrial waste gas.

A Novel Ratiometric Oxygen Sensor Based On a Sextuple Hydrogen-Bonding Self-Assembly Molecular Heterodimer

A novel sextuple hydrogen-bonding (HB) self-assembly molecular heterodimer bearing an iridium complex as the indicator dye and two carbazoles as the reference dye, namely 6HB-Irbt-Cz, was synthesized, and its molecular structure was confirmed by1H NMR,13CNMR, TOF-MS and 2D NMR. Because of the inefficient energy transfer process between the carbazole and iridium complex units, 6HB-Irbt-Cz exhibits distinct ?uorescence/phosphorescence dual emission in neat film state. More importantly, the neat film sample of 6HB-Irbt-Cz could display linear ratiometric optical response toward oxygen in the full oxygen concentration range from 0 to 100 vol%, together with good stability, reversibility and rapid response-recovery times. Note that this represents the first discovery of neat-film-based oxygen sensor capable of showing strictly linear ratiometric Stern-Volmer behavior in the oxygen concentration of 0–100 vol%.

Screening for covalent inhibitors using DNA-display of small molecule libraries functionalized with cysteine reactive moieties

DNA-encoded chemical libraries are increasingly used to identify leads for drug discovery or chemical biology. Despite the resurging interest in covalent inhibitors, libraries are typically designed with synthon filtered out for reactive functionalities that can engage a target through covalent interactions. Herein, we report the synthesis of two libraries containing Michael acceptors to identify cysteine reactive ligands. We developed a simple procedure to discriminate between covalent and high affinity non-covalent inhibitors using DNA display of the library in a microarray format. The methodology was validated with known covalent and high affinity non-covalent kinase inhibitors. Screening of the library revealed novel covalent inhibitors for MEK2 and ERBB2.