Org 48762-0 - ≥98% , CAS No.755753-89-0

CAS: 755753-89-0 Cat. No.: O286758 Formule: C₂₄H₁₆F₂N₄ Poids moléculaire: 398.41

QUALITÉ & PURETÉ ≥98%

Synonyms

Org 48762-0 | SCHEMBL1386962 | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(pyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine | HY-114221 | 4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridyl)-2H-pyrazolo(3

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

Org 48762-0 is a selective p38α and β kinase inhibitor (EC50 = 0.1 μM for p38α). Selective for p38α/β over a panel of 48 other human kinases. Inhibits LPS-induced TNFα release from PBMCs. Also inhibits cytokine release in an LPS-induced endotoxemia model in mice. Orally bioavailable.

Spécifications

Synonymes

Org 48762-0 | SCHEMBL1386962 | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(pyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine | HY-114221 | 4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridyl)-2H-pyrazolo(3

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Selective p38αandβkinase inhibitor (EC50= 0.1μM for p38α). Selective for p38α/βover a panel of 48 other human kinases. Inhibits LPS-induced TNFαrelease from PBMCs. Also inhibits cytokine release in an LPS-induced endotoxemia model in mice. Orally bioavail

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

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

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CN1C=C2C(=C(C(=NC2=N1)C3=CC=C(C=C3)F)C4=CC=NC=C4)C5=CC=C(C=C5)F

IUPAC Name

4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

InChIKey

VMAKTIDYMSNPOV-UHFFFAOYSA-N

INCHI

1S/C24H16F2N4/c1-30-14-20-21(15-2-6-18(25)7-3-15)22(16-10-12-27-13-11-16)23(28-24(20)29-30)17-4-8-19(26)9-5-17/h2-14H,1H3

Isomères SMILES

CN1C=C2C(=C(C(=NC2=N1)C3=CC=C(C=C3)F)C4=CC=NC=C4)C5=CC=C(C=C5)F

Poids moléculaire

398.41

Reaxy-Rn

12014115

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12014115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Phenylpyridines Pyrazolopyridines Fluorobenzenes Aryl fluorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyridine - 2-phenylpyridine - 4-phenylpyridine - Pyrazolopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 39.84, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 19.92, Max Conc. mM: 50
• Sensibilité: Light sensitive
• Poids moléculaire: 398.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 398.134 Da
• Monoisotopic Mass: 398.134 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 555.000
• 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