Cerivastatin sodium - ≥98% , HMG-CoA reductase inhibitor, CAS No.143201-11-0, HMG-CoA reductase inhibitor

CAS: 143201-11-0 Cat. No.: C275025 Molecular Weight: 481.53 PubChem CID: 23663992

GRADE & PURITY ≥98%

Synonyms

bayw6228 | Bay-w-6228 | Tox21_112244_1 | Baycol (TN) | Sodium (3R,5S,6E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-methoxymethyl-3-piridyl)-3,5-dihydroxy-6-heptenoate | Cerivastatin sodium (JAN/USAN) | GPUADMRJQVPIAS-QCVDVZFFSA-M | CERIVASTATIN SODIUM SALT

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

bayw6228 | Bay-w-6228 | Tox21_112244_1 | Baycol (TN) | Sodium (3R, 5S, 6E)-7-(4-(4-fluorophenyl)-2, 6-diisopropyl-5-methoxymethyl-3-piridyl)-3, 5-dihydroxy-6-heptenoate | Cerivastatin sodium (JAN/USAN) | GPUADMRJQVPIAS-QCVDVZFFSA-M | CERIVASTATIN SODIUM SALT

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent HMG-CoA reductase inhibitor (K i = 13 nM). Shows higher potency than Lovastatin . Enantiomerically pure pyridine derivative. Reduces plasma cholesterol levels in vivo . Orally active.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Mechanism of action

HMG-CoA reductase inhibitor

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

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]
• IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate
• InChIKey: GPUADMRJQVPIAS-QCVDVZFFSA-M
• INCHI: 1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1
• Isomeric SMILES: CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]
• PubChem CID: 23663992
• Molecular Weight: 481.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Unsaturated fatty acids Aryl fluorides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Dialkyl ethers Organic metal halides Monocarboxylic acids and derivatives Organic zwitterions Organonitrogen compounds Organopnictogen compounds Organic sodium salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Fluorobenzene - Halobenzene - Unsaturated fatty acid - Aryl fluoride - Aryl halide - Hydroxy acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carbonyl group - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic sodium salt - Organic salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: statin (synthetic) - organic sodium salt

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)

BJ (6930 Activities)

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HEK293 (82097 Activities)

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NCI-H460 (60772 Activities)

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A2780 (11979 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Molecular Weight: 481.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 481.224 Da
• Monoisotopic Mass: 481.224 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 626.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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