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

CAS: 778576-62-8 Cat. No.: O127359 分子式: C₂₀H₁₃Cl₂F₂N₃O₅S 分子量: 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

概要

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

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

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

INHIBITOR

作用メカニズム

Phosphodiesterase 4 inhibitor

純度

≥98%

製品の性質

• ALogP: 4.6

名前と識別子

• パブケム・シド: 528766500
• カノニカル・スマイル: 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)
• 異性体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
• 分子量: 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
    • 分類 Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO
• 分子量: 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