DS-8500a - Moligand™ , Agonist of GPR119, CAS No.1371591-51-3, Agonist of GPR119

CAS: 1371591-51-3 Cat. No.: D609984 PubChem CID: 56959560

GRADE & PURITY Moligand™

Synonyms

08P99TX229 | 4(5-((1-(S))-1-(4-(cyclopropanecarbonyl)phenoxy)propyl)-1,2,4-oxadiazol-3-yl)-2-fluoro-(N)-((2-(S))-1-hydroxypropan-2-yl)benzamide | EX-A3719 | 1371591-51-3 | Benzamide, 4-(5-((1R)-1-(4-(cyclopropylcarbonyl)phenoxy)propyl)-1,2,4-oxadiazol-3-y

Storage

Room temperature

Specifications

Sinónimos

08P99TX229 | 4(5-((1-(S))-1-(4-(cyclopropanecarbonyl)phenoxy)propyl)-1, 2, 4-oxadiazol-3-yl)-2-fluoro-(N)-((2-(S))-1-hydroxypropan-2-yl)benzamide | EX-A3719 | 1371591-51-3 | Benzamide, 4-(5-((1R)-1-(4-(cyclopropylcarbonyl)phenoxy)propyl)-1, 2, 4-oxadiazol-3-y

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of GPR119

Nombres e identificadores

• Sonrisas canónicas: CCC(C1=NC(=NO1)C2=CC(=C(C=C2)C(=O)NC(C)CO)F)OC3=CC=C(C=C3)C(=O)C4CC4
• IUPAC Name: 4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
• InChIKey: LRXRIKVDAVVQCP-SPLOXXLWSA-N
• INCHI: 1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1
• Isómeros SMILES: CC[C@H](C1=NC(=NO1)C2=CC(=C(C=C2)C(=O)N[C@H](C)CO)F)OC3=CC=C(C=C3)C(=O)C4CC4
• CAS alternativo: 1371591-51-3
• PubChem CID: 56959560
• Términos de entrada MeSH: 4(5-((1-(S))-1-(4-(cyclopropanecarbonyl)phenoxy)propyl)-1,2,4-oxadiazol-3-yl)-2-fluoro-(N)-((2-(S))-1-hydroxypropan-2-yl)benzamide;DS-8500a;firuglipel

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenyloxadiazoles 2-halobenzoic acids and derivatives Benzamides Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenyl-1,2,4-oxadiazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenol ether - Benzoyl - Aryl alkyl ketone - Phenoxy compound - Halobenzene - Fluorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Vinylogous halide - Oxadiazole - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Primary alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Objetivos asociados (humanos)

GPR119 Tclin Glucose-dependent insulinotropic receptor (1 Activities)

Discover Target: GPR119

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

Propiedades químicas y físicas

• Peso molecular: 467.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 467.186 Da
• Monoisotopic Mass: 467.186 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 700.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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