Prostaglandin A3 - ≥98%, 100 ug/mL in methyl acetate , CAS No.36614-31-0

CAS: 36614-31-0 Cat. No.: P355727 Molecular Weight: 332.43 PubChem CID: 5283112

GRADE & PURITY ≥98%, 100 ug/mL in methyl acetate

Synonyms

9-oxo-15S-hydroxy-prosta-5Z,10,13E,17Z-tetraen-1-oic acid | PGA3

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Prostaglandin A3 (PGA3) is an expected non-enzymatic dehydration product of Prostaglandin E3 (PGE3). PGA3 exhibits good affinity for the canine EP2 and EP4 receptors with IC50 values of 120 nM and 20 nM, respectively, in a radioligand binding assay.

Specifications

Synonyms

9-oxo-15S-hydroxy-prosta-5Z, 10, 13E, 17Z-tetraen-1-oic acid | PGA3

Specifications & Purity

≥98%, 100 ug/mL in methyl acetate

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC=CCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
• IUPAC Name: (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
• InChIKey: KSIRMUMXJFWKAC-FHJHOUOTSA-N
• INCHI: 1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12-18,21H,2,5,8-11H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t16-,17-,18+/m0/s1
• Isomeric SMILES: CC/C=C\C[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
• PubChem CID: 5283112
• Molecular Weight: 332.43

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: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Cyclic ketones 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 - Fatty acid - Unsaturated fatty acid - Ketone - Cyclic ketone - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - 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: 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

• Molecular Weight: 332.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 332.199 Da
• Monoisotopic Mass: 332.199 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 514.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1