40621-84-9

Basic information

• Product Name: 3-METHYL-5-NITRO-1H-INDAZOLE
• Synonyms: 3-METHYL-5-NITRO-1H-INDAZOLE;3-Methyl-5-nitro-1H-indaz...
• CAS NO: 40621-84-9
• Molecular Formula: C₈H₇N₃O₂
• Molecular Weight: 177.16
• Product Categories: Indazole;Indazoles
• Mol File: 40621-84-9.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 384.924 °C at 760 mmHg
• Flash Point: 186.595 °C
• Appearance: /
• Density: 1.438 g/cm³
• Vapor Pressure: 0.0874mmHg at 25°C
• Refractive Index: 1.707
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.10±0.40(Predicted)
• CAS DataBase Reference: 3-METHYL-5-NITRO-1H-INDAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-5-NITRO-1H-INDAZOLE(40621-84-9)
• EPA Substance Registry System: 3-METHYL-5-NITRO-1H-INDAZOLE(40621-84-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 40621-84-9(Hazardous Substances Data)

Usage

General Description

3-Methyl-5-nitro-1H-indazole is a chemical compound with the molecular formula C9H7N3O2. It is a nitro-substituted indazole compound, which has potential applications in pharmaceuticals, agrochemicals, and materials science. The nitro group in the molecule makes it a potential precursor for the synthesis of various biologically active compounds. 3-Methyl-5-nitro-1H-indazole is also used as a building block in the synthesis of heterocyclic compounds and has shown antimicrobial and antifungal properties in preliminary studies. It is important to handle this chemical with care, as it may pose health and environmental risks if not properly managed.

InChI:InChI=1/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10)

Upstream product

• 3176-62-3 3-methyl-1H-indazole 
• 100-02-7 4-nitro-phenol 
• 1450-76-6 1-(2-hydroxy-5-nitrophenyl)ethanone 
• 79110-05-7 1-(2-fluoro-5-nitrophenyl)ethanone 
• 551-93-9 2-aminoacetophenone 
• 23082-50-0 2'-chloro-5'-nitroacetophenone 
• 65130-31-6 1-(2′-bromo-5′-nitrophenyl)ethan-1-one 

Downstream Products

• 599183-33-2 tert-butyl 3-methyl-5-nitro-1H-indazole-1-carboxylate 
• 1266336-39-3 N-(2-((1S,2S)-2-(1-(5-chloro-pyrimidin-2-yl)piperidin-4-yl)cyclopropyl)ethyl)-1-(4-methoxybenzyl)-3-methyl-1H-indazol-5-amine 
• 1266336-38-2 1-(4-methoxybenzyl)-3-methyl-1H-indazol-5-amine 
• 1266336-37-1 1-(4-methoxybenzyl)-3-methyl-5-nitro-1H-indazole 
• 647853-30-3 3-bromo-N-(7-isobutylamino-3-methyl-1H-indazol-5-yl)-benzenesulfonamide 
• 647853-25-6 3-methyl-5-nitro-1H-indazol-7-ylamine 
• 912810-58-3 (2R,3R)-2-(2,4-difluorophenyl)-3-(3-methyl-5-nitro-1H-indazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 90764-90-2 5-amino-3-methyl-1H-indazole 

Relevant articles and documents

HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE

This invention relates to novel compounds and pharmaceutical compositions comprising. Compounds of the invention useful as modulators of Rho-associated protein kinase (ROCK), for example ROCK1 and/or ROCK2 inhibitors. Methods of treatment employing the compounds are also contemplated by the present invention. The compounds of the invention are useful in treating ROCK mediated diseases.

NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS

This disclosure relates to compounds of formula (I): wherein R1, R2, R3, R4, E, and n1 are as defined in the disclosure, to compositions containing them, to processes for preparing them, and the use t

Design and synthesis of Rho kinase inhibitors (II)

In a previous study, we identified several structurally unrelated scaffolds of the Rho kinase inhibitor using pharmacophore information obtained from the results of a high-throughput screening and structural information from a homology model of Rho kinase. 1H-Indazole is one of the candidate scaffolds on which a new series of potent Rho kinase inhibitors could be developed. In this study, the detailed structure-activity relationship of 1H-indazole analogues was studied. During this study, we found that the cell-free enzyme inhibitory potential of Rho kinase inhibitors having the 1H-indazole scaffold did not necessarily correlate with their inhibitory potential toward the chemotaxis of cultured cells. The choice of the linker substructure was shown to be an important factor for the 1H-indazole analogues to inhibit the chemotaxis of cells. Optimization of the 1H-indazole inhibitors with respect to the in vitro inhibition of monocyte chemotaxis induced by MCP-1 was carried out. The inhibitory potential was improved both in the cell-free enzyme assay and in the chemotaxis assay.