13,14-dihydro-15-keto Prostaglandin D2(DK-PGD2) - Moligand™, ≥98% , Agonist of DP 2 receptor, CAS No.59894-07-4, Agonist of DP 2 receptor

CAS: 59894-07-4 Cat. No.: D607061 Peso molecular: 352.47

GRADE & PURITY Moligand™, ≥98%

Synonyms

11,15-dioxo-9S-hydroxy-5Z-prostenoic acid | SR-01000946246-1 | 13,14-dihydro-15-keto Prostaglandin D2 Lipid Maps(R) MS Standard | 13,14-Dihydro-15-keto-pgd2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

11, 15-dioxo-9S-hydroxy-5Z-prostenoic acid | SR-01000946246-1 | 13, 14-dihydro-15-keto Prostaglandin D2 Lipid Maps(R) MS Standard | 13, 14-Dihydro-15-keto-pgd2

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of DP 2 receptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: O[C@@H](C1)[C@H](C/C=C\CCCC(O)=O)[C@@H](CCC(CCCCC)=O)C1=O
• IUPAC Name: (Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
• InChIKey: VSRXYLYXIXYEST-KZTWKYQFSA-N
• INCHI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1
• Isómeros SMILES: CCCCCC(=O)CC[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O
• CAS alternativo: 59894-07-4
• Términos de entrada MeSH: 13,14-dihydro-15-keto-PGD2;13,14-dihydro-15-keto-prostaglandin D2;13,14-dihydro-15-ketoprostaglandin D2
• Peso molecular: 352.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Cyclopentanols Cyclic ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - Hydroxy fatty acid - Cyclopentanol - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Ketone - Cyclic ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
• External Descriptors: Prostaglandins

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)

PTGDR2 Tchem Prostaglandin D2 receptor 2 (0 Activities)

Discover Target: PTGDR2

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

Propiedades químicas y físicas

• Índice de refracción: n20D1.50 (Predicted)
• Punto de ebullición (°C): 57° C (Predicted)
• Peso molecular: 352.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 352.225 Da
• Monoisotopic Mass: 352.225 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1