AD5075 - Moligand™ , Agonist of Peroxisome proliferator-activated receptor-γ, CAS No.103788-05-2, Agonist of Peroxisome proliferator-activated receptor-γ

CAS: 103788-05-2 Cat. No.: A607407 PubChem CID: 128440

CALIDAD & PUREZA Moligand™

Synonyms

Q27074312 | [3H]AD5075 | [3H]-AD5075 | [3H]AD-5075 | AKOS040750125 | GTPL2702 | AD 5075 | GTPL2701 | SCHEMBL131888 | 5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | 2,4-Thiazolidinedione, 5-((4-(2-h

Storage

Room temperature

Especificaciones

Sinónimos

Q27074312 | [3H]AD5075 | [3H]-AD5075 | [3H]AD-5075 | AKOS040750125 | GTPL2702 | AD 5075 | GTPL2701 | SCHEMBL131888 | 5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | 2,4-Thiazolidinedione, 5-((4-(2-h

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of Peroxisome proliferator-activated receptor-γ

Nombres e identificadores

Sonrisas canónicas

O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O

IUPAC Name

5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

InChIKey

YVQKIDLSVHRBGZ-UHFFFAOYSA-N

INCHI

1S/C22H20N2O5S/c1-13-19(23-21(29-13)15-5-3-2-4-6-15)17(25)12-28-16-9-7-14(8-10-16)11-18-20(26)24-22(27)30-18/h2-10,17-18,25H,11-12H2,1H3,(H,24,26,27)

Isómeros SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)O

PubChem CID

128440

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Phenoxy compounds Phenol ethers 2,4,5-trisubstituted oxazoles Thiazolidinediones Alkyl aryl ethers Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Secondary alcohols Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Aromatic alcohols Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Thiazolidine - Heteroaromatic compound - Carbonic acid derivative - Secondary alcohol - Thiocarbamic acid derivative - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (1 Activities)

Discover Target: PPARG

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 424.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 424.109 Da
• Monoisotopic Mass: 424.109 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 606.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1