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

CAS: 874755-26-7 Cat. No.: G649331 분자식: C₂₁H₁₉N₅O₃ 분자량: 389.41 PubChem CID: 8852666

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

AGONIST

순수함

≥99%

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=CC4=C(C=C3)C(=CC(=O)O4)C
• PubChem CID: 8852666
• 분자량: 389.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 31.25 mg/mL (80.25 mM; Need ultrasonic)
• 분자량: 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

자주 묻는 질문

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.