IP7e - ≥98%(HPLC) , CAS No.500164-74-9

CAS: 500164-74-9 Cat. No.: I286957 分子式: C₂₃H₂₂N₂O₄ 分子量: 390.43

GRADE & PURITY ≥98%(HPLC)

Synonyms

6-[4-[(2-Methoxyethoxy)methyl]phenyl]-5-methyl-3-phenyl-isoxazolo[4,5-c]pyridin-4(5H)-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

6-[4-[(2-Methoxyethoxy)methyl]phenyl]-5-methyl-3-phenyl-isoxazolo[4,5-c]pyridin-4(5H)-one

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Potent Nurr1 activator (EC50= 3.9 nM). Delays onset and reduces severity of symptoms in mice with experimental autoimmune encephalomyelitis (EAE). Also suppresses NF-κB signaling. Brain penetrant and orally bioavailable.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504765073

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504765073

カノニカル・スマイル

CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)COCCOC

IUPAC Name

6-[4-(2-methoxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one

InChIKey

YCAACZFPADQMAR-UHFFFAOYSA-N

INCHI

1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3

異性体SMILES

CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)COCCOC

分子量

390.43

Reaxy-Rn

10590049

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10590049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Isoxazolopyridines Benzylethers Pyridinones Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - Benzylether - 1,2-oxazolopyridine - Pyridinone - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Lactam - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

関連ターゲット（人間）

NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (1 Activities)

Discover Target: NR4A2

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

NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (460 Activities)

Discover Target: NR4A2

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

HEK-293T (167025 Activities)

Explore this target

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

Explore this target

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

PC-12 (7051 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 39.04, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.81, Max Conc. mM: 20 with gentle warming
• 分子量: 390.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 390.158 Da
• Monoisotopic Mass: 390.158 Da
• Topological Polar Surface Area: 64.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 581.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 500164-74-9, the molecular formula is C23H22N2O4, and the molecular weight is 390.43 g/mol. InChIKey YCAACZFPADQMAR-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.