RU 28318, potassium salt - ≥98%(HPLC) , CAS No.76676-34-1

CAS: 76676-34-1 Cat. No.: R287623 Molecular Weight: 440.66 PubChem CID: 23677972

GRADE & PURITY ≥98%(HPLC)

Synonyms

Lipo-PGE1 | (7a,17a)-17-Hydroxy-3-oxo-7-propylpregn-4-ene-21-carboxylic acid, potassium salt | Oxprenoate de potassium | DTXSID401337179 | potassium 3-((7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Lipo-PGE1 | (7a, 17a)-17-Hydroxy-3-oxo-7-propylpregn-4-ene-21-carboxylic acid, potassium salt | Oxprenoate de potassium | DTXSID401337179 | potassium 3-((7R, 8R, 9S, 10R, 13S, 14S, 17R)-17-hydroxy-10, 13-dimethyl-3-oxo-7-propyl-2, 3, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective antagonist for the mineralocorticoid receptor (MR). Inhibits aldosterone production and secretion, and selectively decreases ex-vivo MR binding in the hippocampus of adrenalectomised rats. Also decreases blood pressure in female rats

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CCCC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)[O-])O)C.[K+]
• IUPAC Name: potassium;3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
• InChIKey: HXJITUGMCJCKCE-UYOQDFFISA-M
• INCHI: 1S/C25H38O4.K/c1-4-5-16-14-17-15-18(26)6-10-23(17,2)19-7-11-24(3)20(22(16)19)8-12-25(24,29)13-9-21(27)28;/h15-16,19-20,22,29H,4-14H2,1-3H3,(H,27,28);/q;+1/p-1/t16-,19+,20+,22-,23+,24+,25-;/m1./s1
• Isomeric SMILES: CCC[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(CCC(=O)[O-])O)C.[K+]
• PubChem CID: 23677972
• Molecular Weight: 440.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Androstane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Androstane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Androgens and derivatives
• Alternative Parents: 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Diterpenoids Short-chain hydroxy acids and derivatives Cyclohexenones Tertiary alcohols Enones Acryloyl compounds Cyclic alcohols and derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Diterpenoid - Androgen-skeleton - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Short-chain hydroxy acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Acryloyl-group - Cyclic ketone - Ketone - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic zwitterion - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
• 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 44.07, Max Conc. mM: 100
• Molecular Weight: 440.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 440.233 Da
• Monoisotopic Mass: 440.233 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 733.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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