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

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

Uses

Used in Pharmaceutical Research and Development:
4-Ethynyl-1H-pyrazole is used as a research compound for its potential bioactivity, specifically in modulating biological pathways and as a building block in the discovery of new drugs.
Used in Medicinal Chemistry:
4-Ethynyl-1H-pyrazole is used as a pyrazole derivative in the synthesis of various organic molecules, contributing to the development of new pharmaceutical agents.
Used in Drug Discovery:
4-Ethynyl-1H-pyrazole is used as a chemical building block in the design and synthesis of novel drug candidates, leveraging its ethynyl group for potential therapeutic applications.

Upstream product

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

Downstream Products

• 25016-16-4 1-(1H-pyrazol-4-yl)ethanone 
• 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 
• 17072-38-7 4-ethyl-1H-pyrazole 

Relevant articles and documents

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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).

2,4,6-Triaminopyrimidine as a Novel Hinge Binder in a Series of PI3Kδ Selective Inhibitors

Inhibition of phosphoinositide 3-kinase δ (PI3Kδ) is an appealing target for several hematological malignancies and inflammatory diseases. Herein, we describe the discovery and optimization of a series of propeller shaped PI3Kδ inhibitors comprising a novel triaminopyrimidine hinge binder. Combinations of electronic and structural strategies were employed to mitigate aldehyde oxidase mediated metabolism. This medicinal chemistry effort culminated in the identification of 52, a potent and highly selective inhibitor of PI3Kδ that demonstrates efficacy in a rat model of arthritis.

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AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS

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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.

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Provided herein are 19-nor C3,3-disubstituted C21-pyrazolyl steroids of Formula (I), and pharmaceutically acceptable salts thereof; wherein-, R1, R2, R3a, R3b, R4a, R4b, R5, R6, and R7are as defined herein. Such compounds are contemplated useful for the prevention and treatment of a variety of CNS-related conditions, for example, treatment of sleep disorders, mood disorders, schizophrenia spectrum disorders, convulsive disorders, disorders of memory and/or cognition, movement disorders, personality disorders, autism spectrum disorders, pain, traumatic brain injury, vascular diseases, substance abuse disorders and/or withdrawal syndromes, and tinnitus.

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SUBSTITUTED ALKYNYL PYRIDINE COMPOUNDS AND METHODS OF USE

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Protein O-GlcNAcylation has been shown to play an important role in a number of biological processes, including regulation of the cell cycle, DNA transcription and translation, signal transduction, and protein degradation. O-GlcNAcase (OGA) is responsible for the removal of O-linked β-N-acetylglucosamine (O-GlcNAc) from serine or threonine residues, and thus plays a key role in O-GlcNAc metabolism. Potent OGA inhibitors are useful tools for studying the cellular processes of O-GlcNAc, and may be developed as drugs for the treatment neurodegenerative diseases. In this study, Cu(I)-catalyzed 'Click' cycloaddition reactions between glycosyl azides and alkynes were exploited to generate inhibitory candidates of OGA. Enzymatic kinetic screening revealed that compound 7 was a potent competitive inhibitor of human O-GlcNAcase (Ki = 185.6 μM). Molecular docking simulations of compound 7 into CpOGA (Clostridium perfringens OGA) suggested that strong π-π stacking interaction between the compound and W490 considerably contributed to improving the inhibitory activity. Crown Copyright