Lovastatin Hydroxy Acid, Sodium Salt - ≥95% , CAS No.75225-50-2

CAS: 75225-50-2 Cat. No.: L332296 Molecular Weight: 444.54 EC Number: 641-623-3 PubChem CID: 16760544

GRADE & PURITY ≥95%

Synonyms

1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-, SODIUM SALT (1:1), (.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)- | 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dime

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Lovastatin Hydroxy Acid, Sodium Salt is an active carboxylate form of Lovastatin , an inhibitor of HMGCR (HMG-CoA reductase) (K|i|for acid form is 1 nM). Lovastatin Hydroxy Acid, Sodium Salt is active in whole cells as well as cell-free assays and inhibits cholesterol and isoprenoid biosynthesis. Lovastatin also blocks protein isoprenylation, reduces plasma cholesterol levels in humans, and causes cells to arrest early in the G|1|phase.

Specifications

Synonyms

1-NAPHTHALENEHEPTANOIC ACID, 1, 2, 6, 7, 8, 8A-HEXAHYDRO-.BETA., .DELTA.-DIHYDROXY-2, 6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-, SODIUM SALT (1:1), (.BETA.R, .DELTA.R, 1S, 2S, 6R, 8S, 8AR)- | 1-Naphthaleneheptanoic acid, 1, 2, 6, 7, 8, 8a-hexahydro-beta, delta-dihydroxy-2, 6-dime

Specifications & Purity

≥95%

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.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)C.[Na+]
• IUPAC Name: sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
• InChIKey: LXZBFUBRYYVRQJ-AXHZAXLDSA-M
• INCHI: 1S/C24H38O6.Na/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28;/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,18+,19+,20-,21-,23-;/m0./s1
• Isomeric SMILES: CC[C@H](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.[Na+]
• PubChem CID: 16760544
• Molecular Weight: 444.54

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 Hydroxy fatty acids Fatty acid esters Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fatty acid ester - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic salt - Organic zwitterion - 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

Associated Targets(Human)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (1 Activities)

Discover Target: HMGCR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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

Homo sapiens (32628 Activities)

Explore this target

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Chloroform, Ethyl Acetate, Methanol and Water
• Sensitivity: Moisture sensitive
• Melt Point(°C): 197-202° C
• Molecular Weight: 444.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 444.249 Da
• Monoisotopic Mass: 444.249 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 660.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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

XLogP3