2,3-dinor Prostaglandin E₁ - ≥98%, 100µg/mL in ethanol , CAS No.7046-40-4

CAS: 7046-40-4 Cat. No.: D355904 Molecular Weight: 326.43

GRADE & PURITY ≥98%, 100µg/mL in ethanol

Synonyms

2,3-dinor PGE1 | (1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-5-oxo-cyclopentanepentanoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2,3-dinor Prostaglandin E|1|is a metabolite of PGE1. The biological activity of 2,3-dinor PGE1 has not been published.

Specifications

Synonyms

2, 3-dinor PGE1 | (1R, 2R, 3R)-3-hydroxy-2-[(1E, 3S)-3-hydroxy-1-octen-1-yl]-5-oxo-cyclopentanepentanoic acid

Specifications & Purity

≥98%, 100µg/mL in ethanol

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(C=CC1C(CC(=O)C1CCCCC(=O)O)O)O
• IUPAC Name: 5-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]pentanoic acid
• InChIKey: GTUGBRJEKVKOKQ-LRSAKWJDSA-N
• INCHI: 1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,17+/m0/s1
• Molecular Weight: 326.43

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: Medium-chain hydroxy acids and derivatives Fatty alcohols Medium-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 - Fatty alcohol - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Cyclopentanol - Cyclic alcohol - Secondary alcohol - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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: 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

Chemical and Physical Properties

• Solubility: DMF: >100 mg/ml；DMSO: >50 mg/ml；Ethanol: >50 mg/ml；PBS (pH 7.2): 1.67 mg/ml
• Molecular Weight: 326.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 326.209 Da
• Monoisotopic Mass: 326.209 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 404.000
• 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