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

Description

METHYL 2-HYDROXY-3-NITROBENZOATE, also known as 3-Nitrosalicylic Acid Methyl Ester, is a derivative of 3-Nitrosalicylic acid. It is a yellow crystalline powder with unique chemical properties that allow it to bind to Molybdenum, a key element in the activity of nitrogenase. This interaction contributes to the fertility of soil and water, making it an essential component in various agricultural and environmental applications.

Uses

Used in Agriculture:
METHYL 2-HYDROXY-3-NITROBENZOATE is used as a soil and water treatment agent for enhancing fertility. It binds to Molybdenum, which is a crucial element for the activity of nitrogenase, an enzyme that plays a vital role in the nitrogen fixation process. This process is essential for plant growth and development, as nitrogen is a key component of chlorophyll and various amino acids.
Used in Environmental Applications:
METHYL 2-HYDROXY-3-NITROBENZOATE is used as a water treatment agent for improving water quality and promoting aquatic life. By binding to Molybdenum, it helps maintain the balance of nutrients in the water, which is essential for the growth and survival of various aquatic organisms. This contributes to a healthy and sustainable aquatic ecosystem.
Used in Chemical Research:
METHYL 2-HYDROXY-3-NITROBENZOATE is used as a research compound for studying the properties and interactions of Molybdenum and nitrogenase. Its unique chemical structure allows scientists to explore its potential applications in various fields, such as agriculture, environmental science, and biotechnology.

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

• 119-36-8 methyl salicylate 
• 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 
• 74-88-4 methyl iodide 
• 85-38-1 3-nitrosalicylic acid 
• 77-78-1 dimethyl sulfate 
• 67-56-1 methanol 
• 7647-01-0 hydrogenchloride 

Downstream Products

• 75024-21-4 3-nitro-2-propoxy-benzoic acid 
• 521074-26-0 methyl 3-nitro-2-{[(trifluoromethyl)sulfonyl]oxy}benzoate 
• 5129-25-9 2-methoxy-3-methoxycarbonylaniline 
• 873862-46-5 methyl 3-nitro-2-(2-oxopropoxy)benzoate 
• 90564-26-4 2-methoxy-3-nitro-benzoic acid methyl ester 
• 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 
• 1644599-10-9 (S)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid 
• 1644599-09-6 (R)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid 
• 1644599-06-3 methyl 2-{[(2S)-1-methoxy-1-oxopropan-2-yl]oxy}-3-nitrobenzoate 
• 1644599-05-2 Methyl 2-{[(2R)-1-methoxy-1-oxopropan-2-yl]oxy}-3-nitrobenzoate 
• 137762-81-3 methyl 2-hydroxy-3-(benzoylamino)benzoate 

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

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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