6,15-diketo-13,14-dihydro Prostaglandin F1α - ≥98%, mixture of isomers,1mg/ml in methyl acetate , CAS No.63983-53-9

CAS: 63983-53-9 Cat. No.: D355701 Molecular Weight: 370.48 EC Number: 633-201-2 PubChem CID: 174013

GRADE & PURITY ≥98%, mixture of isomers,1mg/ml in methyl acetate

Synonyms

6,15-diketo-13,14-dihydro PGF1alpha | DTXSID60981700 | 6,15-Diketo-13,14-dihydro-PGF1alpha | LMFA03010013 | PROSTAN-1-OIC ACID, 9,11-DIHYDROXY-6,15-DIOXO-, (9.ALPHA.,11.ALPHA.)- | 6,15-Diketo-13,14-dihydro Prostaglandin F1.alpha. | 6,15-dioxo-9S,11R-dihyd

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

6,15-diketo-13,14-dihydro Prostaglandin F1α is a metabolite of PGI2. The compound is known to enhance cholesterol catabolism and the intracellular cAMP in bovine arterial smooth muscle cells.

Specifications

Synonyms

6, 15-diketo-13, 14-dihydro PGF1alpha | DTXSID60981700 | 6, 15-Diketo-13, 14-dihydro-PGF1alpha | LMFA03010013 | PROSTAN-1-OIC ACID, 9, 11-DIHYDROXY-6, 15-DIOXO-, (9.ALPHA., 11.ALPHA.)- | 6, 15-Diketo-13, 14-dihydro Prostaglandin F1.alpha. | 6, 15-dioxo-9S, 11R-dihyd

Specifications & Purity

≥98%, mixture of isomers, 1mg/ml in methyl acetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC(=O)CCC1C(CC(C1CC(=O)CCCCC(=O)O)O)O
• IUPAC Name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
• InChIKey: KBHLXKOKUVJZIS-MKXGPGLRSA-N
• INCHI: 1S/C20H34O6/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/h16-19,23-24H,2-13H2,1H3,(H,25,26)/t16-,17-,18-,19+/m1/s1
• Isomeric SMILES: CCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O
• PubChem CID: 174013
• Molecular Weight: 370.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Long-chain fatty acids Keto fatty acids Hydroxy fatty acids Cyclopentanols 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 - Keto fatty acid - Cyclopentanol - Fatty acid - Cyclic alcohol - 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
• Description: 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: 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

Chemical and Physical Properties

• Molecular Weight: 370.500 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 370.236 Da
• Monoisotopic Mass: 370.236 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 461.000
• 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