96799-04-1

Basic information

• Product Name: 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE
• Synonyms: 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE;3-Amino-5-(3-methoxyphenyl)-1H-pyrazole;1H-Pyrazol-3-amine, 5-(3-methoxyphenyl)-;3-(3-methoxyphenyl)-1H-pyrazol-5-amine(SALTDATA: HCl);3-(3-methoxyphenyl)-1H-pyrazol-5-amine 1HCl;[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amine
• CAS NO: 96799-04-1
• Molecular Formula: C₁₀H₁₁N₃O
• Molecular Weight: 189.21
• Mol File: 96799-04-1.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 456.7 °C at 760 mmHg
• Flash Point: 230 °C
• Appearance: /
• Density: 1.24 g/cm³
• Vapor Pressure: 1.58E-08mmHg at 25°C
• Refractive Index: 1.63
• Storage Temp.: 2-8°C(protect from light)
• PKA: 14.54±0.10(Predicted)
• CAS DataBase Reference: 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE(96799-04-1)
• EPA Substance Registry System: 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE(96799-04-1)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 96799-04-1(Hazardous Substances Data)

Usage

General Description

5-(3-Methoxy-phenyl)-2H-pyrazol-3-ylamine is a chemical compound that belongs to the class of pyrazole derivatives. It features a pyrazole ring with an amine group attached to the 3-position and a 3-methoxy-phenyl group attached to the 5-position. 5-(3-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE has applications in medicinal chemistry and drug development due to its potential as a functional group for designing bioactive molecules. It may exhibit biological activities such as anti-inflammatory, analgesic, or antimicrobial properties, making it a valuable building block for the synthesis of new pharmaceutical agents. Additionally, the presence of the 3-methoxy-phenyl group may contribute to the compound's solubility and pharmacokinetic properties, further enhancing its potential as a lead compound for drug discovery efforts.

InChI:InChI=1/C10H11N3O/c1-14-8-4-2-3-7(5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)

Upstream product

• 3672-47-7 3-oxo-3-(4'-methoxyphenyl)propanenitrile 
• 123-11-5 4-methoxy-benzaldehyde 
• 21667-60-7 3-methoxybenzoylacetonitrile 
• 10259-22-0 ethyl 3-methoxybenzoate 
• 5368-81-0 methyl 3-methoxybenzoate 

Downstream Products

• 1040724-95-5 C₁₄H₁₆BrN₃O₂ 
• 1040724-95-5 4-bromo-N-[5-(3-methoxy-phenyl)-1H-pyrazol-3-yl]-butyramide 
• 96799-17-6 7-(3-Methoxy-phenyl)-2-phenyl-4-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a][1,3,5]triazine 
• 96799-06-3 2-(4-Fluoro-phenyl)-7-(3-methoxy-phenyl)-4-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a][1,3,5]triazine 

Relevant articles and documents

Polysubstituted heterocyclic derivative, preparation method thereof and application of polysubstituted heterocyclic derivative in medicine

The invention provides a polysubstituted heterocyclic derivative, a preparation method thereof and application of the polysubstituted heterocyclic derivative in medicine, and belongs to the technical field of medicinal chemistry. The polysubstituted heterocyclic derivative is a compound shown in a general formula I or II, a pharmaceutically acceptable salt or a solvate of the compound, and the compound can inhibit mRNA demethylase on the protease level and is used for treating diseases related to mRNA demethylase functions.

Development of inhibitors against mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches

Mycobacterium abscessus (Mab) is a rapidly growing species of multidrug-resistant nontuberculous mycobacteria that has emerged as a growing threat to individuals with cystic fibrosis and other pre-existing chronic lung diseases. Mab pulmonary infections are difficult, or sometimes impossible, to treat and result in accelerated lung function decline and premature death. There is therefore an urgent need to develop novel antibiotics with improved efficacy. tRNA (m1G37) methyltransferase (TrmD) is a promising target for novel antibiotics. It is essential in Mab and other mycobacteria, improving reading frame maintenance on the ribosome to prevent frameshift errors. In this work, a fragment-based approach was employed with the merging of two fragments bound to the active site, followed by structure-guided elaboration to design potent nanomolar inhibitors against Mab TrmD. Several of these compounds exhibit promising activity against mycobacterial species, including Mycobacterium tuberculosis and Mycobacterium leprae in addition to Mab, supporting the use of TrmD as a target for the development of antimycobacterial compounds.

Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H- pyrazol-3-yl] amide (SEN15924, WAY-361789)

Alpha-7 nicotinic acetylcholine receptors (α7 nAChR) are implicated in the modulation of many cognitive functions such as attention, working memory, and episodic memory. For this reason, α7 nAChR agonists represent promising therapeutic candidates for the treatment of cognitive impairment associated with Alzheimer's disease (AD) and schizophrenia. A medicinal chemistry effort, around our previously reported chemical series, permitted the discovery of a novel class of α7 nAChR agonists with improved selectivity, in particular against the α3 receptor subtype and better ADME profile. The exploration of this series led to the identification of 5-(4-acetyl[1,4] diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (25, SEN15924, WAY-361789), a novel, full agonist of the α7 nAChR that was evaluated in vitro and in vivo. Compound 25 proved to be potent and selective, and it demonstrated a fair pharmacokinetic profile accompanied by efficacy in rodent behavioral cognition models (novel object recognition and auditory sensory gating).