Prostaglandin A3 - Una soluzione in acetato di metile , CAS No.36614-31-0

CAS: 36614-31-0 Cat. No.: P355727 Formula: C₂₀H₂₈O₄ Peso molecolare: 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

Normale

Panoramica

La prostaglandina A3 (PGA3) è un prodotto di disidratazione non enzimatica della prostaglandina E3 (PGE3). La PGA3 mostra una buona affinità per i recettori EP2 ed EP4 canini con valori IC50 di 120 nM e 20 nM, rispettivamente, in un saggio di legame radioligandistico.

Specifications

Sinonimi

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

Specifiche e purezza

Una soluzione in acetato di metile

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

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

Isomeri 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

Peso molecolare

332.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 36614-31-0, the molecular formula is C20H28O4, and the molecular weight is 332.43 g/mol. InChIKey KSIRMUMXJFWKAC-FHJHOUOTSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.