(S)-Mapracorat , CAS No.887375-15-7

CAS: 887375-15-7 Cat. No.: M650642 Summenformel: C₂₅H₂₆F₄N₂O₂ Molekulargewicht: 462.48 PubChem CID: 24993922

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

(S)-Mapracorat is a selective and less active glucocorticoid receptor agonist.

In Vitro

(S)-Mapracorat concentration dependently inhibited TNFα secretion from activated canine PBMC with IC 50 value of approximately 0.2 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Intradermal injection of compound 48/80 (50 μg in 50 μL saline) resulted in a clear wheal and flare reaction over the 60 min observation period. Topical pre-treatment with (S)-Mapracorat (0.1%) leads to significant reduction in the wheal and flare responses compared to vehicle (acetone) treated areas. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Biochemische und physiologische Mechanismen

(S)-Mapracorat is a selective and less active glucocorticoid receptor agonist.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Namen und Kennungen

• Kanonisches Lächeln: CC1=NC2=C(C=C1)C(=CC=C2)NCC(CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)O
• IUPAC Name: (2S)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
• InChIKey: VJGFOYBQOIPQFY-DEOSSOPVSA-N
• INCHI: 1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m0/s1
• Isomere SMILES: CC1=NC2=C(C=C1)C(=CC=C2)NC[C@@](CC(C)(C)C3=CC(=CC4=C3OCC4)F)(C(F)(F)F)O
• PubChem CID: 24993922
• Molekulargewicht: 462.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Coumarans Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Methylpyridines Aryl fluorides Benzenoids Tertiary alcohols Heteroaromatic compounds 1,2-aminoalcohols Fluorohydrins Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organofluorides Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Coumaran - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Methylpyridine - Aralkylamine - Aryl halide - Aryl fluoride - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - 1,2-aminoalcohol - Fluorohydrin - Halohydrin - Secondary amine - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 50.6 mg/mL (109.41 mM)

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 887375-15-7, the molecular formula is C25H26F4N2O2, and the molecular weight is 462.48 g/mol. InChIKey VJGFOYBQOIPQFY-DEOSSOPVSA-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.