Pitavastatin Calcium - ≥99% , HMG-CoA reductase inhibitor, CAS No.147526-32-7, HMG-CoA reductase inhibitor

CAS: 147526-32-7 Cat. No.: P129617 Molecular Weight: 880.98 EC Number: 807-641-2 PubChem CID: 5282451

GRADE & PURITY ≥99%

Synonyms

(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid hemicalcium salt | Itavastatin calcium | NK 104 | Q-201590 | PITAVASTATIN CALCIUM [ORANGE BOOK] | calcium bis{(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinoli

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pitavastatin Calcium is a competitive inhibitor of the enzyme HMGCR (HMG-CoA reductase) results in a reduction in LDL cholesterol synthesis. Alternate studies show that pitavastatin can suppress oxygen production in endothelial cells by inhibiting NADPH oxidase. In addition, pitavastatin reduces the expression of eNOS mRNA while increasing the NO dependent response stimulated by acetylcholine and the calcium ionophore, A23187. Furthermore, pitavastatin inhibits the up-regulation of conductance calcium-activated potassium channels by lowering cholesterol levels in cells.
A competitive inhibitor of HMG-CoA reductase

Specifications

Synonyms

(3R, 5S, 6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3, 5-dihydroxy-6-heptenoic acid hemicalcium salt | Itavastatin calcium | NK 104 | Q-201590 | PITAVASTATIN CALCIUM [ORANGE BOOK] | calcium bis{(3R, 5S, 6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinoli

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Pitavastatin calcium is a novel member of the medication class of statins.Potent, competitive inhibitor of HMG-CoA reductase (K i = 1.7nM). Blocks cholesterol synthesis. Displays cardioprotective properties. Orally active.

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

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

≥99%

Names and Identifiers

• Pubchem Sid: 488195263
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195263
• Canonical Smiles: C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]
• IUPAC Name: calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
• InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-L
• INCHI: 1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
• Isomeric SMILES: C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]
• Alternate CAS: 147511-69-1
• PubChem CID: 5282451
• Molecular Weight: 880.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Aryl fluorides Unsaturated fatty acids Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Organic calcium salts Organic metal halides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organic zwitterions Organofluorides Organonitrogen compounds
• Molecular Framework: Not available
• Substituents: Phenylquinoline - 4-phenylpyridine - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Pyridine - Unsaturated fatty acid - Fatty acyl - Benzenoid - Fatty acid - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic calcium salt - Organic metal halide - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organofluoride - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• External Descriptors: calcium salt - statin (synthetic)

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 HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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RARG Tclin Retinoic acid receptor gamma (1154 Activities)

Discover Target: RARG

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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BJ (6930 Activities)

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HEK293 (82097 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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NR4A1 Tchem Nuclear receptor subfamily 4 group A member 1 (458 Activities)

Discover Target: NR4A1

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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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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 51 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 881.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 880.285 Da
• Monoisotopic Mass: 880.285 Da
• Topological Polar Surface Area: 187.000 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 626.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 3

XLogP3

References

1. Yuan-yuan Zhai, Qiang Wang, Qi-yao Nong, Mei-yu Gao, Ying Zhang, Qin-wen Xiao, Yuan Tian, Zun-jian Zhang, Feng-guo Xu, Pei Zhang.  (2025)  Pitavastatin overcomes multi-drug resistance in CRC and NSCLC by targeting the NRP1-ZFX axis.  BIOCHEMICAL PHARMACOLOGY,      [PMID:40684995] [10.1016/j.bcp.2025.117183]

2. Shuang Lu, Shuo Wang, Xueying Tang, Yangxu Gui, Jiawei Lian, Xinrong Liu, Yanzhi Song, Yihui Deng.  (2026)  A Two Birds with One Stone Strategy: Sialic Acid-Modified Pitavastatin Liposomes for Combating Atherosclerosis and Tumors.  MOLECULAR PHARMACEUTICS,      [PMID:41649341] [10.1021/acs.molpharmaceut.5c01434]