802541-12-4

Basic information

• Product Name: ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate
• Synonyms: ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate;ethyl 2-(3-ethoxy-2-oxocyclohex-3-en-1-yl)-2-oxoacetate;3-Cyclohexene-1-acetic acid, 3-ethoxy-α,2-dioxo-, ethyl ester
• CAS NO: 802541-12-4
• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.25244
• Mol File: 802541-12-4.mol

Chemical Properties

• Boiling Point: 389.2±42.0 °C(Predicted)
• Appearance: /
• Density: 1.16±0.1 g/cm3(Predicted)
• PKA: 6.35±0.40(Predicted)
• CAS DataBase Reference: ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate(802541-12-4)
• EPA Substance Registry System: ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate(802541-12-4)

Safety Data

• Hazardous Substances Data: 802541-12-4(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate is used as a key intermediate in organic synthesis for the production of various chemical compounds. Its reactivity and functional groups make it a versatile building block in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate is used as a starting material or intermediate in the development of new drugs. Its potential biological activity and pharmacological properties make it a valuable compound for exploring novel therapeutic agents.
Used in Medicinal Chemistry:
Ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate is employed as a research compound in medicinal chemistry to investigate its potential as a therapeutic agent. Its unique structure and functional groups may offer new opportunities for the design and synthesis of innovative pharmaceuticals with improved efficacy and selectivity.
Used in Chemical Reactions:
Ethyl 2-(3-ethoxy-2-oxocyclohex-3-enyl)-2-oxoacetate is utilized as a reactant in various chemical reactions, such as condensation, oxidation, and reduction reactions. Its reactivity and functional groups enable the formation of new chemical entities with diverse applications in different industries.

Upstream product

• 95-92-1 oxalic acid diethyl ester 
• 29941-82-0 2-ethoxycyclohex-2-en-1-one 

Downstream Products

• 175396-30-2 ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate 
• 802541-13-5 ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate 

Relevant articles and documents

Identification of N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl] amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a potent, orally available cyclin dependent kinase inhibitor

The discovery of a novel class of inhibitors of cyclin dependent kinases (CDKs) is described. Starting from compound 1, showing good potency as inhibitor of CDKs but being poorly selective against a panel of serine-threonine and tyrosine kinases, new analogues were synthesized. Enhancement in selectivity, antiproliferative activity against A2780 human ovarian carcinoma cells, and optimization of the physical properties and pharmacokinetic profile led to the identification of highly potent and orally available compounds. Compound 28 (PHA-848125), which in the preclinical xenograft A2780 human ovarian carcinoma model showed good efficacy and was well tolerated upon repeated daily treatments, was identified as a drug candidate for further development. Compound 28 is currently undergoing phase I and phase II clinical trials.

PYRAZOLO-QUINAZOLINE DERIVATIVES,PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS

Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.