Simvastatin Ammonium Salt - ≥95% , CAS No.139893-43-9

CAS: 139893-43-9 Cat. No.: S302812 Molecular Weight: 453.61 EC Number: 604-165-5 PubChem CID: 12967766

GRADE & PURITY ≥95%

Synonyms

Simvastatin acid (ammonium) | Tenivastatin ammonium salt | Simvastatin ammonium salt | 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, ammonium salt (1:1), (betaR,deltaR,1S,2S,6R,8S,8aR)

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Simvastatin acid (Tenivastatin) ammonium is a potent HMG-CoA reductase (HMGCR) inhibitor. Simvastatin acid ammonium reduces Indoxyl sulfate-mediated reactive oxygen species (ROS) production in human cardiomyocytes. Simvastatin acid ammonium can also modulates OATP3A1 expression in cardiomyocytes and HEK293 cells transfected with the OATP3A1 gene.

Specifications

Synonyms

Simvastatin acid (ammonium) | Tenivastatin ammonium salt | Simvastatin ammonium salt | 1-Naphthaleneheptanoic acid, 8-(2, 2-dimethyl-1-oxobutoxy)-1, 2, 6, 7, 8, 8a-hexahydro-beta, delta-dihydroxy-2, 6-dimethyl-, ammonium salt (1:1), (betaR, deltaR, 1S, 2S, 6R, 8S, 8aR)

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C.N
• IUPAC Name: (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;azane
• InChIKey: FFPDWNBTEIXJJF-OKDJMAGBSA-N
• INCHI: 1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
• Isomeric SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C.N
• PubChem CID: 12967766
• Molecular Weight: 453.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Amino fatty acids Beta hydroxy acids and derivatives Branched fatty acids Hydroxy fatty acids Fatty acid esters Dicarboxylic acids and derivatives Quaternary ammonium salts Secondary alcohols Carboxylic acid esters Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Amines
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Amino fatty acid - Beta-hydroxy acid - Branched fatty acid - Hydroxy fatty acid - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• 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

• Sensitivity: Moisture sensitive.