GW-406381 - ≥99% , CAS No.221148-46-5

CAS: 221148-46-5 Cat. No.: G650432 Peso molecular: 393.46 PubChem CID: 9832687

GRADE & PURITY ≥99%

Synonyms

2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo[1,5-b]pyridazine | Pyrazolo(1,5-b)pyridazine, 2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)- | GW 406381 | Chloro(isopropyl)magnesium | NXMZBNYLCVTRGB-UHFFFAOYSA-N | 2-(4-Ethoxy-phenyl)-3-(4-methan

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

GW406381, a highly selective cyclooxygenase-2 (COX-2) inhibitor, attenuates spontaneous ectopic discharge in sural nerves of rats following chronic constriction injury

Form:Solid

IC50& Target:COX-2

Specifications

Sinónimos

2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo[1, 5-b]pyridazine | Pyrazolo(1, 5-b)pyridazine, 2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)- | GW 406381 | Chloro(isopropyl)magnesium | NXMZBNYLCVTRGB-UHFFFAOYSA-N | 2-(4-Ethoxy-phenyl)-3-(4-methan

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

GW406381, a highly selective cyclooxygenase-2 (COX-2) inhibitor, attenuates spontaneous ectopic discharge in sural nerves of rats following chronic constriction injury.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥99%

Propiedades del producto

• ALogP: 3.5

Nombres e identificadores

• Sonrisas canónicas: CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3
• IUPAC Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
• InChIKey: NXMZBNYLCVTRGB-UHFFFAOYSA-N
• INCHI: 1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3
• Isómeros SMILES: CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3
• CAS alternativo: 221148-46-5,537697-89-5
• PubChem CID: 9832687
• Términos de entrada MeSH: 2-(4-ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo(1,5-b)pyridazine;GW406381;GW406381X
• Peso molecular: 393.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridazines and derivatives Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridazine - Heteroaromatic compound - Sulfonyl - Sulfone - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Objetivos asociados (humanos)

PTGS1 Tclin Prostaglandin G/H synthase 1 (0 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Prostaglandin G/H synthase 2 (2 Activities)

Discover Target: PTGS2

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (254.16 mM; Need ultrasonic)
• Peso molecular: 393.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 393.115 Da
• Monoisotopic Mass: 393.115 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 607.000
• 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