Rosuvastatin Calcium - Moligand™, ≥99% , HMG-CoA reductase inhibitor, CAS No.147098-20-2, HMG-CoA reductase inhibitor

CAS: 147098-20-2 Cat. No.: R129220 Molecular Weight: 500.57 EC Number: 627-028-1 PubChem CID: 5282455

GRADE & PURITY Moligand™, ≥99%

Synonyms

Shufutan | Suvikan | Provisacor | ROSUVASTATIN CALCIUM (USP-RS) | ROSUVASTATIN CALCIUM [EP MONOGRAPH] | R0180 | EZALLOR | Rosuvastatin calcium | Rosuvastatin calcium- Bio-X | ZD 4522 Calcium

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Rosuvastatin Calcium is a competitive inhibitor of HMG-CoA reductase with IC50 of 11 nM.
A selective and competitive inhibitor of HMG-CoA reductase.

Specifications

Synonyms

Shufutan | Suvikan | Provisacor | ROSUVASTATIN CALCIUM (USP-RS) | ROSUVASTATIN CALCIUM [EP MONOGRAPH] | R0180 | EZALLOR | Rosuvastatin calcium | Rosuvastatin calcium- Bio-X | ZD 4522 Calcium

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Potent HMG-CoA reductase inhibitor (IC50= 5.4 nM). Inhibits cholesterol synthesis in rat hepatocytesin vitroandin vivo. Reduces plasma LDL cholesterol levels. Enhances lentiviral transduction of natural killer cells. Orally bioavailable.

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

HMG-CoA reductase inhibitor

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504763431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763431
• Canonical Smiles: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca+2]
• IUPAC Name: calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
• InChIKey: LALFOYNTGMUKGG-BGRFNVSISA-L
• INCHI: 1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1
• Isomeric SMILES: CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.[Ca+2]
• PubChem CID: 5282455
• Molecular Weight: 500.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: 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 Organosulfonamides Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic calcium salts Organic metal halides Organic zwitterions Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Not available
• Substituents: 4-phenylpyrimidine - 5-phenylpyrimidine - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty acid - Hydroxy acid - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Unsaturated fatty acid - Aryl fluoride - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Azacycle - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: organic calcium salt - N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine

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

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

Associated Targets(non-human)

MDCK (10148 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 50.06, Max Conc. mM: 100
• Sensitivity: heat sensitive
• Specific Rotation[α]: -8° (C=1,CHCl3)
• Melt Point(°C): 160 °C
• Molecular Weight: 1001.100 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 18
• Exact Mass: 1000.28 Da
• Monoisotopic Mass: 1000.28 Da
• Topological Polar Surface Area: 304.000 Ų
• Heavy Atom Count: 67
• Formal Charge: 0
• Complexity: 761.000
• 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

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2. Jie Yang, Zengguang Jia, Jun Zhang, Xiuhua Pan, Yawen Wei, Siyu Ma, Ning Yang, Zengyi Liu, Qi Shen.  (2022)  Metabolic Intervention Nanoparticles for Triple-Negative Breast Cancer Therapy via Overcoming FSP1-Mediated Ferroptosis Resistance.  Advanced Healthcare Materials,  11  (13): (2102799).  [PMID:35395704] [10.1002/adhm.202102799]

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4. Kyeong-Ju Lee, Yoon-Mi Lee, Seong-Bin Yang, Jun-Hyuck Lee, Ha Rin Kim, Ji-Hong Lim, Jooho Park.  (2024)  A novel chemically engineered multifunctional statin conjugate as self-assembled nanoparticles inhibiting bile acid transporters.  JOURNAL OF CONTROLLED RELEASE,      [PMID:38971425] [10.1016/j.jconrel.2024.07.008]

5. 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]

6. Meng Yan, Yuan Zhong, Sheng Ni, Shirong Zhang, Yingying Jiang, Li Zhu, Kun Zhang, Kaiyong Cai, Kai Qu, Chuanwei Li, Wei Wu.  (2025)  CCR2-Engineered Macrophage Membrane-Coated Metal-Polyphenol Nanozyme to Enhance Antioxidation Activity for Inhibiting the Atherosclerotic Progression.  Advanced Healthcare Materials,      [PMID:40974123] [10.1002/adhm.202502151]

7. Hao Hao, Juntao Hu, Ziyu Kuai, Fengjie Hao, Wantong Jiang, Nana Ran, Yuting He, Yanping Zhang, Yibing Huang, Yanfei Qi, Quan Luo.  (2024)  Enzyme-mediated multifunctional self-healing lysozyme hydrogel for synergistic treatment of chronic diabetic wounds.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39437956] [10.1016/j.ijbiomac.2024.136719]

8. Kyeong-Ju Lee, Seong-Bin Yang, Jae-Hyeon Lee, Bison Seo, Hyung-Sik Won, Jooho Park.  (2025)  Preparation and Therapeutic Evaluation of Engineered Semaglutide and Statin–Lipid Conjugate-Based Nanoparticle.  Pharmaceutics,  17  (4): (480).  [PMID:40284475] [10.3390/pharmaceutics17040480]

9. Xuesheng Hu, Lu Han, Yiying Tan, Peitong Wu, Yajing Li, Wanjie Liu, Jiaming Shen, Yishan Li, Ming Yang, Chunnan Li, Jiaming Sun.  (2026)  A new lanostane-type triterpene with lipid-lowering activity from Ganoderma lucidum and an additional analogue.  Frontiers in Chemistry,      [PMID:41647298] [10.3389/fchem.2025.1726447]

10. Xianzheng Sang, Yichao Ye, Chengzi Yang, Xiaoxiang Hou, Yangu Guo, Hantong Shi, Chunhui Wang, Wen Chen, Danfeng Zhang, Lijun Hou.  (2026)  Microglia as a key mediator in rosuvastatin-associated cognitive impairment.  NEUROTOXICOLOGY,      [PMID:41690424] [10.1016/j.neuro.2026.103405]