revamilast - Moligand™ , Phosphodiesterase 4 inhibitor, CAS No.893555-90-3, Phosphodiesterase 4 inhibitor

CAS: 893555-90-3 Cat. No.: R613164 Formula: C₁₈H₉Cl₂F₂N₃O₄ Peso molecolare: 440.2 PubChem CID: 11546664

GRADE & PURITY Moligand™

Synonyms

CFRXVFRHMZLQBS-UHFFFAOYSA-N | IXQHNBONEVULTL-UHFFFAOYSA-N | Revamilast | 30LE65637T | 3,5-Dichloro-4-(6-(difluoromethoxy)benzofuro[3,2-c]pyridine-9-carboxamido)pyridine 1-oxide | GRC4039 | GRC-4039 | 3,5-Dichloro-4-((6-(difluoromethoxy)(1)benzofuro(3,2-c)

Storage

Room temperature

Specifications

Sinonimi

CFRXVFRHMZLQBS-UHFFFAOYSA-N | IXQHNBONEVULTL-UHFFFAOYSA-N | Revamilast | 30LE65637T | 3,5-Dichloro-4-(6-(difluoromethoxy)benzofuro[3,2-c]pyridine-9-carboxamido)pyridine 1-oxide | GRC4039 | GRC-4039 | 3,5-Dichloro-4-((6-(difluoromethoxy)(1)benzofuro(3,2-c)

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Phosphodiesterase 4 inhibitor

Proprietà del prodotto

• ALogP: 4.8

Nomi e identificatori

• Sorrisi canonici: FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)N=c1c(Cl)cn(cc1Cl)O)F
• IUPAC Name: N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-6-(difluoromethoxy)-[1]benzoxolo[3,2-c]pyridine-9-carboxamide
• InChIKey: CFRXVFRHMZLQBS-UHFFFAOYSA-N
• INCHI: 1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H
• Isomeri SMILES: C1=CC(=C2C(=C1C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C4=C(O2)C=CN=C4)OC(F)F
• PubChem CID: 11546664
• Peso molecolare: 440.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Furo[3,2-c]pyridines Polyhalopyridines Dihydropyridines Aryl chlorides Benzenoids Secondary ketimines Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Furo[3,2-c]pyridine - Furopyridine - Polyhalopyridine - Dihydropyridine - Aryl chloride - Aryl halide - Hydropyridine - Pyridine - Benzenoid - Furan - Heteroaromatic compound - Secondary ketimine - Carboxylic acid derivative - Oxacycle - Azacycle - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Obiettivi associati (umani)

PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (1 Activities)

Discover Target: PDE4A

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

Obiettivi associati (non umani)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 440.200 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 438.994 Da
• Monoisotopic Mass: 438.994 Da
• Topological Polar Surface Area: 88.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 741.000
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 893555-90-3, the molecular formula is C18H9Cl2F2N3O4, and the molecular weight is 440.2 g/mol. InChIKey CFRXVFRHMZLQBS-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.