mPGES1-IN-3 , CAS No.1469976-70-2

CAS: 1469976-70-2 Cat. No.: M1435203 PubChem CID: 71766070

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

mPGES1-IN-3 (Compound 17d) is a potent and selective microsomal prostaglandin E2 synthase-1 ( mPGES-1 ) inhibitor, which exhibits excellent mPGES-1 enzyme ( IC 50 : 8 nM), cell (A549 IC 50 : 16.24 nM) and human whole blood potency (IC 50 : 249.9 nM).

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Namen und Kennungen

• Kanonisches Lächeln: CN1C2=C(C=C(C3=C2OCCO3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)F)N=C1NC5=C(C=CC=C5Cl)F
• IUPAC Name: 2-(2-chloro-6-fluoroanilino)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-7,8-dihydro-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
• InChIKey: HOTSVKDMIYWWIY-UHFFFAOYSA-N
• INCHI: 1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)3-2-4-16(18)27)10-14(20-21(19)37-6-5-36-20)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h2-4,7-10H,5-6H2,1H3,(H,31,35)(H,32,33)
• Isomere SMILES: CN1C2=C(C=C(C3=C2OCCO3)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)F)N=C1NC5=C(C=CC=C5Cl)F
• PubChem CID: 71766070

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Trifluoromethylbenzenes Benzo-1,4-dioxanes Benzimidazoles Aniline and substituted anilines Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aminoimidazoles Para dioxins Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organofluorides Amines Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Trifluoromethylbenzene - Benzo-1,4-dioxane - Benzodioxane - Benzimidazole - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aminoimidazole - Aryl chloride - Aryl fluoride - Aryl halide - Para-dioxin - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organofluoride - Organohalogen compound - Organochloride - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1469976-70-2. InChIKey HOTSVKDMIYWWIY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.