CAS 112018-00-5|Tebufelone

Introduction：Basic information about CAS 112018-00-5|Tebufelone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Tebufelone BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Tebufelone
CAS Number	112018-00-5	Molecular Weight	300.43500
Density	0.992g/cm3	Boiling Point	383.6ºC at 760mmHg
Molecular Formula	C₂₀H₂₈O₂	Melting Point	/
MSDS	/	Flash Point	163.8ºC

Names

Name	1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one
Synonym	More Synonyms

Tebufelone BiologicalActivity

Description	Tebufelone (NE-11740), a nonsteroidal anti-inflammatory drug (NSAID), is a selective dual COX-2/5-lipoxygenase inhibitor. Tebufelone displays potent anti-inflammatory, analgesic and anti-pyretic properties[1][2].
Related Catalog	Research Areas >>Inflammation/ImmunologySignaling Pathways >>Immunology/Inflammation >>COXSignaling Pathways >>Metabolic Enzyme/Protease >>5-LipoxygenaseResearch Areas >>Neurological Disease
Target	COX-2 5-LO
References	[1]. S M Weisman, et al. Effects of tebufelone (NE-11740), a new anti-inflammatory drug, on arachidonic acid metabolism. Agents Actions. 1994 May;41(3-4):156-63. [2]. Sebastian Braun, et al. Carborane-Based Tebufelone Analogs and Their Biological Evaluation In Vitro. ChemMedChem. 2023 Jul 17;18(14):e202300206.

Chemical & Physical Properties

Density	0.992g/cm3
Boiling Point	383.6ºC at 760mmHg
Molecular Formula	C₂₀H₂₈O₂
Molecular Weight	300.43500
Flash Point	163.8ºC
Exact Mass	300.20900
PSA	37.30000
LogP	4.97340
Vapour Pressure	1.97E-06mmHg at 25°C
Index of Refraction	1.515
InChIKey	ZHXUEUKVDMWSKV-UHFFFAOYSA-N
SMILES	C#CCCCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

Synonyms

4-(5'-hexynoyl)-2,6-di-tert-butylphenol

Tebufelone

Tebufelonum [INN-Latin]

5-Hexyn-1-one,1-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)

Tebufelona

Tebufelone [USAN:INN]

Tebufelonum

Tebufelona [INN-Spanish]

4-(5'-hexynoyl)-2,6-di-t-butylphenol

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