902837-62-1

Basic information

• Product Name: 1-Ethyl-1H-pyrazole-5-carboxaldehyde
• Synonyms: 1-Ethyl-1H-pyrazole-5-carboxaldehyde;2-ethyl-3-pyrazolecarboxaldehyde;2-ethylpyrazole-3-carbaldehyde
• CAS NO: 902837-62-1
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.14
• Mol File: 902837-62-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 230℃
• Flash Point: 93℃
• Appearance: /
• Density: 1.10
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 0.58±0.10(Predicted)
• CAS DataBase Reference: 1-Ethyl-1H-pyrazole-5-carboxaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Ethyl-1H-pyrazole-5-carboxaldehyde(902837-62-1)
• EPA Substance Registry System: 1-Ethyl-1H-pyrazole-5-carboxaldehyde(902837-62-1)

Safety Data

• Hazardous Substances Data: 902837-62-1(Hazardous Substances Data)

Usage

General Description

1-Ethyl-1H-pyrazole-5-carboxaldehyde is a chemical compound with the molecular formula C7H8N2O. It is a derivative of pyrazole and belongs to the class of carboxaldehyde compounds. This chemical is commonly used in the pharmaceutical and agrochemical industries as an intermediate for the synthesis of various compounds. It has potential applications in the production of drugs, pesticides, and other organic compounds. The compound has a distinct structure and properties that make it useful in the development of new products and processes. However, it is important to handle 1-Ethyl-1H-pyrazole-5-carboxaldehyde with care as it may have potential hazards associated with its handling and use.

InChI:InChI=1S/C6H8N2O/c1-2-8-6(5-9)3-4-7-8/h3-5H,2H2,1H3

Upstream product

• 68-12-2 N,N-dimethyl-formamide 
• 2817-71-2 1-ethyl-1H-pyrazole 

Downstream Products

• 1007488-29-0 (1-ethyl-1H-pyrazol-5-yl)methanol 
• 1428972-62-6 N-((1-ethyl-1H-pyrazol-5-yl)methylene)-3-methoxyaniline 
• 1428968-91-5 2-(1-ethyl-1H-pyrazol-5-yl)-1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)ethanone 

Relevant articles and documents

Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor

Myeloid cell leukemia 1 (Mcl-1) has emerged as an attractive target for cancer therapy. It is an antiapoptotic member of the Bcl-2 family of proteins, whose upregulation in human cancers is associated with high tumor grade, poor survival, and resistance to chemotherapy. Here we report the discovery of our clinical candidate S64315, a selective small molecule inhibitor of Mcl-1. Starting from a fragment derived lead compound, we have conducted structure guided optimization that has led to a significant (3 log) improvement of target affinity as well as cellular potency. The presence of hindered rotation along a biaryl axis has conferred high selectivity to the compounds against other members of the Bcl-2 family. During optimization, we have also established predictive PD markers of Mcl-1 inhibition and achieved both efficient in vitro cell killing and tumor regression in Mcl-1 dependent cancer models. The preclinical candidate has drug-like properties that have enabled its development and entry into clinical trials.

Spin transition in the molecular heterospin complex of Cu(hfac)2 with 4,4,5,5-tetramethyl-2-(1-methylpyrazol-5-yl)-4,5-dihydroimidazole-1-oxyl 3-oxide

The synthesis, structure, and magnetic properties of the products of the reaction for Cu(hfac)2 (hfac is hexafluoroacetylacetonate) with spin-labeled nitronyl nitroxides 4,4,5,5-tetramethyl-2-(1-R-1H-pyrazol-5-yl)-3- imidazoline-1-oxyl 3-oxides L5/R (R = Me, Et, Pr, Bu), viz., binuclear complex [Cu(hfac)2L5/Me]2 and chain polymer complexes [Cu(hfac)2L5/R]n, are described. The polymer heterospin chains are built according to head-to-head (R = Me, Et, Pr, Bu) and head-to-tail (R = Pr, Bu) motifs. Compound [Cu(hfac)2L5/Me]2 is characterized by the ability to reveal the reversible effect of thermally induced spin transition at a temperature about 75 K (without hysteresis). In the set of heterospin CuII compounds with spin-labeled pyrazoles, this is the earlier unknown example of a molecular complex exhibiting a similar magnetic anomaly.