57121-49-0

Basic information

• Product Name: 4-Ethynyl-1H-pyrazole
• Synonyms: 4-Ethynyl-1H-pyrazole;4-Ethynyl-1H-pyrazole,95+
• CAS NO: 57121-49-0
• Molecular Formula: C₅H₄N₂
• Molecular Weight: 92.09866
• Mol File: 57121-49-0.mol
• Article Data: 16

Chemical Properties

• Melting Point: 101-103 °C
• Boiling Point: 238.5±13.0 °C(Predicted)
• Appearance: /
• Density: 1.15±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 12.60±0.50(Predicted)
• CAS DataBase Reference: 4-Ethynyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Ethynyl-1H-pyrazole(57121-49-0)
• EPA Substance Registry System: 4-Ethynyl-1H-pyrazole(57121-49-0)

Safety Data

• Hazardous Substances Data: 57121-49-0(Hazardous Substances Data)

Usage

General Description

4-Ethynyl-1H-pyrazole is a chemical compound often used in the research and development of pharmaceuticals and various organic molecules. It is an aromatized pyrazole, contributing to the variety of pyrazole derivatives used in medicinal chemistry. Known for its ethynyl group, this chemical is often utilized for its bioactivity, specifically as a modulator in biological pathways or as a building block in drug discovery. Precise information about its toxicity or potential hazards is still limited, implying that special care should be observed during its usage.

Upstream product

• 116228-46-7 2-Methyl-4-(4-pyrazolyl)-3-butin-2-ol 
• 116228-44-5 1-Benzoyl-4-trimethylsilylethinylpyrazol 
• 82099-91-0 4-formylethynyl-1-(2,4,6-trimethylbenzoyl)pyrazole 
• 959918-26-4 1-benzoyl-4-[(triethylsilyl)ethynyl]-1H-pyrazole 
• 900164-93-4 4-((trimethylsilyl)ethynyl)-1Η-pyrazole 

Downstream Products

• 25016-16-4 1-(1H-pyrazol-4-yl)ethanone 
• 17072-38-7 4-ethyl-1H-pyrazole 
• 39806-89-8 4-ethynyl-1-methyl-1-H-pyrazole 
• 1615681-92-9 (S)-2-(1-(5-((1H-pyrazol-4-yl)ethynyl)-6-aminopyrimidin-4-ylamino)ethyl)-5-chloro-3-phenylquinazolin-4(3H)-one 

Relevant articles and documents

PI3 kinase modulators and methods of use thereof, and use thereof

The invention belongs to the field of medicines, concretely relates to a compound for treating cancer, a composition and an application of the composition and particularly relates to a PI3 kinase regulator as well as a use method and application of the PI3 kinase regulator. The invention provides a compound as shown in the formula (I), a pharmaceutically accepted salt of the compound and a pharmaceutical preparation of the compound, wherein the compound is used for regulating the activity of protein kinase and intercellular or intracellular signal response. The invention also relates to a pharmaceutical composition containing the compound and a method for treating high-proliferative diseases of mammals and particularly human beings by using the pharmaceutical composition as shown in the formula (I).

Substituted alkynyl pyridine compounds and methods of use thereof, and use thereof

The invention provides a substituted alkynylpyridine compound with a structure represented by a formula (I) as described in the specification and a pharmaceutically acceptable salt and a medicinal preparation thereof. The compound is used for adjusting activity of protein kinase and adjusting intercellular or intracellular signal response. The invention also relates to a pharmaceutical composition including the compound provided by the invention and a method of applying the pharmaceutical composition in treating mammals, especially in treating highly proliferative diseases of the mankind.

Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation

Activating mutations within the epidermal growth factor receptor (EGFR) kinase domain, commonly L858R or deletions within exon 19, increase EGFR-driven cell proliferation and survival and are correlated with impressive responses to the EGFR inhibitors erlotinib and gefitinib in nonsmall cell lung cancer patients. Approximately 60% of acquired resistance to these agents is driven by a single secondary mutation within the EGFR kinase domain, specifically substitution of the gatekeeper residue threonine-790 with methionine (T790M). Due to dose-limiting toxicities associated with inhibition of wild-type EGFR (wtEGFR), we sought inhibitors of T790M-containing EGFR mutants with selectivity over wtEGFR. We describe the evolution of HTS hits derived from Jak2/Tyk2 inhibitors into selective EGFR inhibitors. X-ray crystal structures revealed two distinct binding modes and enabled the design of a selective series of novel diaminopyrimidine-based inhibitors with good potency against T790M-containing mutants of EGFR, high selectivity over wtEGFR, broad kinase selectivity, and desirable physicochemical properties.