difamilast - Moligand™ , Phosphodiesterase 4 inhibitor, CAS No.937782-05-3, Phosphodiesterase 4 inhibitor

CAS: 937782-05-3 Cat. No.: D609879 Summenformel: C₂₃H₂₄F₂N₂O₅ Molekulargewicht: 446.4 PubChem CID: 57855696

GRADE & PURITY Moligand™

Synonyms

GTPL9776 | N-[2-(4-difluoromethoxy-3-isopropoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide | SCHEMBL4275421 | Benzamide, N-((2-(4-(difluoromethoxy)-3-(1-methylethoxy)phenyl)-4-oxazolyl)methyl)-2-ethoxy- | Difamilast (JAN/USAN) | Difamilast | UNII-T3U32GLJ

Storage

Room temperature

Specifications

Synonyme

GTPL9776 | N-[2-(4-difluoromethoxy-3-isopropoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide | SCHEMBL4275421 | Benzamide, N-((2-(4-(difluoromethoxy)-3-(1-methylethoxy)phenyl)-4-oxazolyl)methyl)-2-ethoxy- | Difamilast (JAN/USAN) | Difamilast | UNII-T3U32GLJ

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Phosphodiesterase 4 inhibitor

Produkteigenschaften

• ALogP: 4.8

Namen und Kennungen

• Kanonisches Lächeln: CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F
• IUPAC Name: N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
• InChIKey: VFBILHPIHUPBPZ-UHFFFAOYSA-N
• INCHI: 1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)
• Isomere SMILES: CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC(F)F)OC(C)C
• PubChem CID: 57855696
• Molekulargewicht: 446.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 2,4-disubstituted oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by 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

Zugehörige Ziele (menschlich)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (1 Activities)

Discover Target: PDE4D

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 446.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 446.165 Da
• Monoisotopic Mass: 446.165 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 583.000
• 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

Häufig gestellte Fragen

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 937782-05-3, the molecular formula is C23H24F2N2O5, and the molecular weight is 446.4 g/mol. InChIKey VFBILHPIHUPBPZ-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.