1a,1b-dihomo Prostaglandin F2α - ≥98%, 10 mg/ml in methyl acetate , CAS No.57944-39-5

CAS: 57944-39-5 Cat. No.: A356080 Molecular Weight: 382.53 PubChem CID: 6443812

GRADE & PURITY ≥98%, 10 mg/ml in methyl acetate

Synonyms

1a,1b-dihomo Prostaglandin F2 alpha | 1a,1b-Dihomoprostaglandin F2 | (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid | CHEBI:183014 | (Z)-9-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)cyclopen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1a,1b-dihomo Prostaglandin F2α is believed to be the metabolic product of adrenic acid via degradation by COX. 1a,1b-dihomo Prostaglandin F2α is primarily produced in renal medulla tissue where adrenic acid is selectively distributed.

Specifications

Synonyms

1a, 1b-dihomo Prostaglandin F2 alpha | 1a, 1b-Dihomoprostaglandin F2 | (Z)-9-[(1R, 2R, 3R, 5S)-3, 5-dihydroxy-2-[(E, 3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid | CHEBI:183014 | (Z)-9-((1R, 2R, 3R, 5S)-3, 5-Dihydroxy-2-((S, E)-3-hydroxyoct-1-en-1-yl)cyclopen

Specifications & Purity

≥98%, 10 mg/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(C=CC1C(CC(C1CC=CCCCCCC(=O)O)O)O)O
• IUPAC Name: (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
• InChIKey: ZCTAOAWRUXSOQF-GWSKAPOCSA-N
• INCHI: 1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCCCC(=O)O)O)O)O
• PubChem CID: 6443812
• Molecular Weight: 382.53

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 Medium-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Cyclopentanols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Prostaglandin skeleton - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Cyclopentanol - Fatty acid - Unsaturated fatty acid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen 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: 10 mM Na2CO3: >6.5 mg/ml (from PGF2a) DMF: >100 mg/ml (from PGF2a) DMSO: >100 mg/ml (from PGF2a) Ethanol: >100 mg/ml (from PGF2a) PBS pH 7.2: >10 mg/ml (from PGF2a)
• Molecular Weight: 382.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 382.272 Da
• Monoisotopic Mass: 382.272 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 460.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1