6-keto Prostaglandin E1 - ≥98%, 1mg/mL in ethanol , CAS No.67786-53-2

CAS: 67786-53-2 Cat. No.: K355917 Peso molecular: 368.46 Número EC: 688-563-4 PubChem CID: 5280889

GRADE & PURITY ≥98%, 1mg/mL in ethanol

Synonyms

LMFA03010012 | Prostaglandin E1, 6-oxo | CHEBI:28269 | SR-01000946379 | 6,9-DIOXO-11ALPHA,15S-DIHYDROXY-PROST-13E-EN-1-OIC ACID | SCHEMBL1273817 | 6-keto Prostaglandin E1 | 6-KPGE1 | SR-01000946379-1 | 6-Oxoprostaglandin E1 | 6-oxo-prostaglandin E1 | DTXS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

6-keto Prostaglandin E|1|is a metabolite isolated from PGI|2|incubated with rabbit liver microsomes. 6-keto Prostaglandin E|1|has similar activity to PGE|1|, including similar vasodilation potency.

Specifications

Sinónimos

LMFA03010012 | Prostaglandin E1, 6-oxo | CHEBI:28269 | SR-01000946379 | 6, 9-DIOXO-11ALPHA, 15S-DIHYDROXY-PROST-13E-EN-1-OIC ACID | SCHEMBL1273817 | 6-keto Prostaglandin E1 | 6-KPGE1 | SR-01000946379-1 | 6-Oxoprostaglandin E1 | 6-oxo-prostaglandin E1 | DTXS

Especificaciones y pureza

≥98%, 1mg/mL in ethanol

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC(C=CC1C(CC(=O)C1CC(=O)CCCCC(=O)O)O)O
• IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoic acid
• InChIKey: ROUDCKODIMKLNO-CTBSXBMHSA-N
• INCHI: 1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1
• Isómeros SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)O)O)O
• PubChem CID: 5280889
• Peso molecular: 368.46

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 Fatty alcohols Keto 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 - Fatty alcohol - Hydroxy fatty acid - Keto fatty acid - Cyclopentanol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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)

PTGIR Tclin Prostanoid IP receptor (1280 Activities)

Discover Target: PTGIR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 368.500 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 368.22 Da
• Monoisotopic Mass: 368.22 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 499.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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