Oglemilast - ≥98% , Phosphodiesterase 4 inhibitor, CAS No.778576-62-8, Phosphodiesterase 4 inhibitor

CAS: 778576-62-8 Cat. No.: O127359 Summenformel: C₂₀H₁₃Cl₂F₂N₃O₅S Molekulargewicht: 516.30

GRADE & PURITY ≥98%

Synonyms

BCP21392 | UNII-67GXQ6WCC6 | NCGC00379066-01 | GRC3886 | GRC-3886 | 4-difluoromethoxy-8-methanesulfonylamino-dibenzofuran-1-carboxylic acid (3,5-dichloro-pyridin-4-yl)-amide | N-(3,5-Dichloropyridin-4(1H)-ylidene)-4-(difluoromethoxy)-8-[(methanesulfonyl)a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Oglemilast (GRC 3886) is a potent and orally active phosphodiesterase-4 (PDE4) inhibitor with an IC50 of 0.5 nM for PDE4D3. Oglemilast inhibits pulmonary cell infiltration, including eosinophilia and neutrophilia in vitro and in vivo. Oglemilast has the potential for inflammatory airway diseases.

Specifications

Synonyme

BCP21392 | UNII-67GXQ6WCC6 | NCGC00379066-01 | GRC3886 | GRC-3886 | 4-difluoromethoxy-8-methanesulfonylamino-dibenzofuran-1-carboxylic acid (3,5-dichloro-pyridin-4-yl)-amide | N-(3,5-Dichloropyridin-4(1H)-ylidene)-4-(difluoromethoxy)-8-[(methanesulfonyl)a

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Oglemilast, a potent PDE4 inhibitor, under clinical studies in the treatment of allergen-induced asthma.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Phosphodiesterase 4 inhibitor

Reinheit

≥98%

Produkteigenschaften

• ALogP: 4.6

Namen und Kennungen

• Pubchem Sid: 528766500
• Kanonisches Lächeln: CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F
• IUPAC Name: N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide
• InChIKey: OKFDRAHPFKMAJH-UHFFFAOYSA-N
• INCHI: 1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
• Isomere SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)F
• Molekulargewicht: 516.30
• Reaxy-Rn: 11683113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11683113&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Sulfanilides Polyhalopyridines Phenol ethers Aryl chlorides Organic sulfonamides Organosulfonamides Aminosulfonyl compounds Furans Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Sulfanilide - Phenol ether - Polyhalopyridine - Aryl chloride - Aryl halide - Pyridine - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Alkyl halide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
• 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

Zugehörige Ziele (menschlich)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (2 Activities)

Discover Target: PDE4D

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

Zugehörige Ziele (nicht menschlich)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO
• Molekulargewicht: 516.299 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 514.992 Da
• Monoisotopic Mass: 514.992 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 810.000
• 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