Epoprostenol sodium - Moligand™,≥96% , CAS No.61849-14-7

CAS: 61849-14-7 Cat. No.: E137300 Molecular Weight: 374.45 Beilstein Registry Number: 6472195 EC Number: 263-273-7

GRADE & PURITY Moligand™, ≥96%

Synonyms

4K04IQ1OF4 | EPOPROSTENOL SODIUM [USP-RS] | EX-A7849M | Prostacyclin sodium salt | PROSTAGLANDIN I2 Na | U-53217A | epoprostenol | 2-Hydroxy-2-methyl-4-pentanone | BRN 0907645 | EPOPROSTENOL SODIUM [JAN] | EPOPROSTENOL SODIUM [WHO-DD] | sodium (Z)-5-((3aR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4K04IQ1OF4 | EPOPROSTENOL SODIUM [USP-RS] | EX-A7849M | Prostacyclin sodium salt | PROSTAGLANDIN I2 Na | U-53217A | epoprostenol | 2-Hydroxy-2-methyl-4-pentanone | BRN 0907645 | EPOPROSTENOL SODIUM [JAN] | EPOPROSTENOL SODIUM [WHO-DD] | sodium (Z)-5-((3aR

Specifications & Purity

Moligand™, ≥96%

Biochemical and Physiological Mechanisms

Prostacyclin is a short term product of the Cyclooxygenase pathway in the Endothelium. By antagonizing Thromboxane A2 and stimulating platelet Adenylate cyclase, it can be used as an effective inhibitor of platelet aggregation. Nitric Oxide is also produc

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.

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)[O-])O2)O)O.[Na+]
• IUPAC Name: sodium;(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
• InChIKey: LMHIPJMTZHDKEW-XQYLJSSYSA-M
• INCHI: 1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/O2)O)O.[Na+]
• WGK Germany: 3
• Alternate CAS: 35121-78-9
• Molecular Weight: 374.45
• Beilstein: 6472195

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 Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Prostaglandin skeleton - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Cyclic alcohol - Tetrahydrofuran - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic zwitterion - Organic sodium salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organic salt - Aliphatic heteropolycyclic 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

Associated Targets(Human)

ADCY1 Tchem Brain adenylate cyclase 1 (372 Activities)

Discover Target: ADCY1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Associated Targets(non-human)

Canis familiaris (36305 Activities)

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Bos taurus (956 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O: 1 mg/mL (Hydrolyzes to 6-ketoprostaglandin F1α in aqueous solution.)ethanol: 50 mg/mL
• Sensitivity: Moisture sensitive
• Molecular Weight: 374.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 374.207 Da
• Monoisotopic Mass: 374.207 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 491.000
• 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: 2

XLogP3

References

1. Chen Hui-Lian, Wang Qing-Yu, Qi Ruo-Mei, Cai Jian-Ping.  (2024)  Identification of the changes in the platelet proteomic profile of elderly individuals.  Frontiers in Cardiovascular Medicine,      [PMID:38807946] [10.3389/fcvm.2024.1384679]