GPR40/FFAR1 modulator 1 - ≥99% , CAS No.874755-26-7

CAS: 874755-26-7 Cat. No.: G649331 Formule: C₂₁H₁₉N₅O₃ Poids moléculaire: 389.41 PubChem CID: 8852666

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

GPR40/FFAR1 modulator 1 is an agonist and an allosteric modulator for Gq-coupled free fatty acid receptor 1 (GPR40/FFAR1)

Form:Solid

IC50& Target:Gq-coupled free fatty acid receptor 1 (GPR40/FFAR1)

Specifications

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

GPR40/FFAR1 modulator 1 is an agonist and an allosteric modulator for Gq-coupled free fatty acid receptor 1 (GPR40/FFAR1).

Conditions de stockage de stockage

Protected from light,Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=CC4=C(C=C3)C(=CC(=O)O4)C
• IUPAC Name: 7-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methoxy]-4-methylchromen-2-one
• InChIKey: WCRLDDWRDAIHGO-UHFFFAOYSA-N
• INCHI: 1S/C21H19N5O3/c1-12-5-3-4-6-16(12)23-21-25-18(24-20(22)26-21)11-28-14-7-8-15-13(2)9-19(27)29-17(15)10-14/h3-10H,11H2,1-2H3,(H3,22,23,24,25,26)
• Isomères SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=CC4=C(C=C3)C(=CC(=O)O4)C
• PubChem CID: 8852666
• Poids moléculaire: 389.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans 1,3,5-triazine-2,4-diamines Phenol ethers Aniline and substituted anilines Toluenes Pyranones and derivatives Alkyl aryl ethers 1,3,5-triazines Heteroaromatic compounds Lactones Azacyclic compounds Secondary amines Oxacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - 2,4-diamine-s-triazine - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - Triazine - 1,3,5-triazine - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 31.25 mg/mL (80.25 mM; Need ultrasonic)
• Poids moléculaire: 389.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 389.149 Da
• Monoisotopic Mass: 389.149 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 615.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 874755-26-7, the molecular formula is C21H19N5O3, and the molecular weight is 389.41 g/mol. InChIKey WCRLDDWRDAIHGO-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.