13,14-Dihydroprostaglandin E1 - Moligand™, ≥98% , Agonist of EP 4 receptor, CAS No.19313-28-1, Agonist of EP 4 receptor

CAS: 19313-28-1 Cat. No.: D274874 Peso molecular: 356.5

GRADE & PURITY Moligand™, ≥98%

Synonyms

GTPL1946 | KBio2_002617 | 11.ALPHA.,15-DIHYDROXY-9-OXOPROSTANOIC ACID | 3-hydroxy-2-(3-hydroxyoctyl)-5-oxo-Cyclopentaneheptanoic acid | NCGC00161302-02 | 13,14-dihydro pge1 | Dihydro-pge1 | NCGC00161302-01 | 5-17-10-00446 (Beilstein Handbook Reference) |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

GTPL1946 | KBio2_002617 | 11.ALPHA., 15-DIHYDROXY-9-OXOPROSTANOIC ACID | 3-hydroxy-2-(3-hydroxyoctyl)-5-oxo-Cyclopentaneheptanoic acid | NCGC00161302-02 | 13, 14-dihydro pge1 | Dihydro-pge1 | NCGC00161302-01 | 5-17-10-00446 (Beilstein Handbook Reference) |

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Endogenous prostaglandin E 1 (PGE 1 ) metabolite. Inhibits ADP induced platelet aggregation in vitro (IC 50 = 31 nM). Antimitotic agent.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

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 EP 4 receptor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC(CCC1C(CC(=O)C1CCCCCCC(=O)O)O)O
• IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid
• InChIKey: DPOINJQWXDTOSF-DODZYUBVSA-N
• INCHI: 1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1
• Isómeros SMILES: CCCCC[C@@H](CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
• Peso molecular: 356.5
• Reaxy-Rn: 2949590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2949590&ln=

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 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 - 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)

PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (1 Activities)

Discover Target: PTGER4

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• Peso molecular: 356.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 356.256 Da
• Monoisotopic Mass: 356.256 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 396.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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