37972-24-0

Basic information

• Product Name: Pyrimidine, 2-ethynyl- (9CI)
• Synonyms: Pyrimidine, 2-ethynyl- (9CI);2-Ethynylpyrimidine;PyriMidine,2-ethynyl-;2-Ethynylpyrimidine 97%
• CAS NO: 37972-24-0
• Molecular Formula: C₆H₄N₂
• Molecular Weight: 104.10936
• Product Categories: PYRIMIDINE;Heterocycle-Pyrimidine series
• Mol File: 37972-24-0.mol
• Article Data: 10

Chemical Properties

• Melting Point: 96.5°C
• Boiling Point: 228.206 °C at 760 mmHg
• Flash Point: 103.588 °C
• Appearance: /
• Density: 1.117 g/cm³
• Vapor Pressure: 0.112mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: -0.58±0.13(Predicted)
• CAS DataBase Reference: Pyrimidine, 2-ethynyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrimidine, 2-ethynyl- (9CI)(37972-24-0)
• EPA Substance Registry System: Pyrimidine, 2-ethynyl- (9CI)(37972-24-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 37972-24-0(Hazardous Substances Data)

Usage

General Description

Pyrimidine, 2-ethynyl- (9CI) is a chemical compound with the molecular formula C6H3N2. It is a member of the pyrimidine family, which is a heterocyclic organic compound with a ring structure containing two nitrogen atoms. The 2-ethynyl- substitution indicates the presence of an ethynyl group (-C≡CH) at the 2 position of the pyrimidine ring. Pyrimidine, 2-ethynyl- (9CI) has potential applications in the field of pharmaceuticals and agrochemicals, as well as in the production of organic dyes and pigments. However, it is important to handle and use this chemical with care, as it may have harmful effects on human health and the environment if not properly managed.

InChI:InChI=1/C6H4N2/c1-2-6-7-4-3-5-8-6/h1,3-5H

Upstream product

• 4595-60-2 2-bromopyrimidine 
• 115-19-5 2-methyl-but-3-yn-2-ol 
• 193631-86-6 2-((trimethylsilyl)ethynyl)pyrimidine 
• 1066-54-2 trimethylsilylacetylene 
• 54-42-2 5-Iodo-2'-deoxyuridine 
• 4960-55-8 1,1,3,3-tetraphenyl-1-propene 

Downstream Products

• 68535-55-7 4-(pyrimidin-2-yl)phenol 
• 1292785-57-9 3-ethoxy-4-(pyrimidin-2-yl)phenol 
• 1391870-11-3 C₅₄H₅₃BrN₆Zn 

Relevant articles and documents

Photoelectron spectra and electronic structures of substituted pyrimidines

The electronic structures of pyrimidine (1) and its substituted derivatives 2-15 have been investigated by ultraviolet photoelectron spectroscopy and quantum chemical methods. The ionisation potentials corresponding to the π MOs π1-π3/sub

Design, synthesis, and biological evaluation of novel 2′-methyl-2′-fluoro-6-methyl-7-alkynyl-7-deazapurine nucleoside analogs as anti-Zika virus agents

Zika virus (ZIKV) is a mosquito-borne flavivirus and outbreaks of ZIKV have been reported in Africa, Americas and other parts of the world lately. The ZIKV epidemic has received extensive attention due to its ability to cause serious medical consequences and complications such as microcephaly and Guillain-Barre syndrome in recent years. Up to now, there are no specific treatments or vaccines available for ZIKV infection, which highlights the urgent need for developing new therapies. In this work, we designed and synthesized a series of novel 6-methyl-7-acetylenenyl-7-deazapurine nucleoside analogs as potential inhibitors of ZIKV replication. The biological activities against ZIKV replication were evaluated and the structure-activity relationship (SAR) was also studied. Among the compounds evaluated, nucleoside analog 38 (EC50 = 2.8 ± 0.8 μM, EC90 = 6.8 ± 2.3 μM) showed the most potent anti-ZIKV activity with low cytotoxicity (CC50 = 54.1 ± 6.9 μM) in an A549 based cellular model. The inhibitory activity of 38 was about 5 times more potent than the positive control NITD008. Notably, 38 showed similar inhibition potency against different ZIKV strains (ZG-01 and MR766) in a variety of host cell types including SNB19, A549, Huh7, Vero. In addition, 38 (Kd = 1.87 μM) has a stronger affinity to ZIKV RNA-dependent RNA polymerase (RdRp) protein than NITD008 (Kd = 3.43 μM) in the non-phosphorylation assay. These results indicated that compound 38 may serve as a promising candidate in future anti-ZIKV drug discovery.

PYRROLE DERIVATIVES

Provided herein are compounds of the formula (I) : as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful

Design and synthesis of potent and selective inhibitors of BRD7 and BRD9 bromodomains

Emerging evidence suggests bromodomain-containing proteins 7 and 9 (BRD7 and BRD9) have roles in the regulation of human transcription and disease including cancer. We describe potent and selective inhibitors of the BRD7 and BRD9 bromodomains intended for use as tools to elucidate the biological roles of BRD7 and BRD9 in healthy and diseased cells.