Etofenamate - 10mM in DMSO , CAS No.30544-47-9

CAS: 30544-47-9 Cat. No.: E580389 Summenformel: C₁₈H₁₈F₃NO₄ Molekulargewicht: 369.34 EG-Nummer: 250-231-8

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

EN300-1692900 | NCGC00016804-02 | Bayrogel | Etofenamate (USAN/INN) | J-018005 | Rheumon | Rheumon gel | SPBio_003038 | 2-(2-Hydroxyaethoxy)aethylester der flutenaminsaeure | KZF0XM66JC | 2-(2-Hydroxyethoxy)ethyl-N-(alpha,alpha,alpha-trifluoro-m-tolyl)ant

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Etofenamate is a non-steroidal anti-inflammatory drug used for the treatment joint and muscular pain.
An anti-inflammatory, anti-arrhythmic amino acid.

Spezifikationen

Synonyme

EN300-1692900 | NCGC00016804-02 | Bayrogel | Etofenamate (USAN/INN) | J-018005 | Rheumon | Rheumon gel | SPBio_003038 | 2-(2-Hydroxyaethoxy)aethylester der flutenaminsaeure | KZF0XM66JC | 2-(2-Hydroxyethoxy)ethyl-N-(alpha,alpha,alpha-trifluoro-m-tolyl)ant

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Etofenamate is an anti-inflammatory, anti-arrhythmic amino acid

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F

IUPAC Name

2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate

InChIKey

XILVEPYQJIOVNB-UHFFFAOYSA-N

INCHI

1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2

Isomere SMILES

C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F

Molekulargewicht

369.34

Reaxy-Rn

2953263

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2953263&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Trifluoromethylbenzenes Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Vinylogous amides Amino acids and derivatives Carboxylic acid esters Secondary amines Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Trifluoromethylbenzene - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alkyl fluoride - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Cruzipain (33337 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO
• Empfindlichkeit: light sensitive
• Molekulargewicht: 369.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 369.119 Da
• Monoisotopic Mass: 369.119 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 433.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1