22621-41-6

Basic information

• Product Name: METHYL 2-HYDROXY-3-NITROBENZOATE
• Synonyms: RARECHEM AL BF 0272;METHYL 2-HYDROXY-3-NITROBENZOATE;METHYL 3-NITROSALICYLATE;Methyl 2-hydroxy-3-benzoate;2-Hydroxy-3-nitrobenzoic acid methyl ester;3-Nitro-2-hydroxybenzoic acid methyl ester;Methyl 3-nitrosalicylate,98%;3-Nitromethyl salicylate
• CAS NO: 22621-41-6
• Molecular Formula: C₈H₇NO₅
• Molecular Weight: 197.14
• Product Categories: Aromatic Esters;Esters;Phenyls & Phenyl-Het;alcohol|nitro-compound|carboxylic ester
• Mol File: 22621-41-6.mol
• Article Data: 32

Chemical Properties

• Melting Point: 127-132 °C
• Boiling Point: 263.9 °C at 760 mmHg
• Flash Point: 113.4 °C
• Appearance: Yellow/Crystalline Powder
• Density: 1.432 g/cm³
• Vapor Pressure: 0.00612mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 6.85±0.24(Predicted)
• CAS DataBase Reference: METHYL 2-HYDROXY-3-NITROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-HYDROXY-3-NITROBENZOATE(22621-41-6)
• EPA Substance Registry System: METHYL 2-HYDROXY-3-NITROBENZOATE(22621-41-6)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26
• Hazardous Substances Data: 22621-41-6(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystalline powder

Uses

3-Nitrosalicylic Acid Methyl Ester is an derivative of 3-Nitrosalicylic acid (N520905), which has been shown to bind to Molybdenum to impart fertility to soil and water and is a key element in the activity of nitrogenase.

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

Upstream product

• 74-88-4 methyl iodide 
• 69-72-7 salicylic acid 
• 317-46-4 2-fluoro-3-nitro-benzoic acid 
• 40751-88-0 2-methoxy-3-nitrobenzoic acid 
• 90564-26-4 2-methoxy-3-nitro-benzoic acid methyl ester 
• 119-36-8 methyl salicylate 
• 85-38-1 3-nitrosalicylic acid 
• 77-78-1 dimethyl sulfate 
• 67-56-1 methanol 
• 7647-01-0 hydrogenchloride 

Downstream Products

• 107558-95-2 2-(benzyloxy)-3-nitrobenzoic acid 
• 35748-34-6 methyl 3-aminosalicylate 
• 27701-28-6 methyl 2-methoxymethyloxy-3-nitrobenzoate 
• 1246447-67-5 2-benzoyl-7-nitrobenzofuran-3-ol 
• 1246447-68-6 2-(4-methylbenzoyl)-7-nitrobenzofuran-3-ol 
• 1248626-90-5 2-(4-chlorobenzoyl)-7-nitrobenzofuran-3-ol 
• 1248626-85-8 2-(4-methoxybenzoyl)-7-nitrobenzofuran-3-ol 
• 1609394-03-7 2-(difluoromethoxy)-3-nitrobenzamide 
• 1609394-04-8 3-amino-2-(difluoromethoxy)benzamide 
• 722538-98-9 2-methoxy-3-nitrobenzamide 
• 1609394-05-9 3-(2-methoxy-3-nitrophenyl)-4H-1,2,4-triazole 
• 1609394-06-0 3-(2-methoxy-3-nitrophenyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,4-triazole 
• 1609394-07-1 2-methoxy-3-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,4-triazol-3-yl)aniline 
• 1609394-08-2 3-(2-methoxy-3-nitrophenyl)-1-methyl-1H-1,2,4-triazole 

Relevant articles and documents

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Compounds of formula (I) useful as tyrosine kinase 2 (Tyk2) inhibitors, pharmaceutical compositions containing these compounds, methods of using the pharmaceutical compositions in the treatment of various disorders related to the regulation of Tyk2 activi

Synthesis of 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide and 3-oxo-3,4-dihydrobenzo[b][1,4]oxazine-8-carboxamide derivatives as PARP1 inhibitors

Poly(ADP-ribose) polymerase 1 (PARP1), a widely explored anticancer drug target, plays an important role in single-strand DNA break repair processes. High-throughput virtual screening (HTVS) of a Maybridge small molecule library using the PARP1-benzimidazole-4-carboxamide co-crystal structure and pharmacophore model led to the identification of eleven compounds. These compounds were evaluated using recombinant PARP1 enzyme assay that resulted in the acquisition of three PARP1 inhibitors: 3 (IC50 = 12 μM), 4 (IC50 = 5.8 μM), and 10 (IC50 = 0.88 μM). Compound 4 (2,3-dihydro-1,4-benzodioxine-5-carboxamide) was selected as a lead and was subjected to further chemical modifications, involving analogue synthesis and scaffold hopping. These efforts led to the identification of (Z)-2-(4-hydroxybenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide (49, IC50 = 0.082 μM) as the most potent inhibitor of PARP1 from the series.

Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient

The present invention relates to a novel compound, a method for manufacturing the same, and a pharmaceutical composition for preventing or treating poly(ADP-ribose)polymerase-1 (PARP-1) related diseases containing the compound as an active ingredient. The novel PARP-1 inhibitory compound according to the present invention exhibits an excellent PARP-1 inhibitory effect at a concentration of nanomol unit and further exhibits an excellent cytoprotective effect (cell death inhibitory effect) on ophthalmic diseases or disorders, especially on retinal diseases. The composition containing the compound as an active ingredient is useful as a composition for preventing or treating PARP-1 related diseases, for example, ophthalmic diseases or disorders.(AA) Example 37(BB) Example 39COPYRIGHT KIPO 2018