Atorvastatin (strontium)

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Description

Strontium atorvastatin is a cholesterol-lowering drug with activity in ameliorating cardiovascular disease-related events. Strontium atorvastatin exerts its biological activity by inhibiting HMG-CoA reductase in liver tissue. Strontium atorvastatin is also used to suppress dyslipidemia[1].

CAS Number

1072903-92-4

UNSPSC

12352005

Target

Autophagy; HMG-CoA Reductase (HMGCR)

Type

Reference compound

Related Pathways

Autophagy; Metabolic Enzyme/Protease

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/atorvastatin-strontium.html

Smiles

O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC(O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[1/2Sr]

Molecular Formula

C33H35FN2O5.1/2Sr

Molecular Weight

602.06

References & Citations

[1]Nawrocki, J.W., et al., Reduction of LDL cholesterol by 25% to 60% in patients with primary hypercholesterolemia by atorvastatin, a new HMG-CoA reductase inhibitor. Arterioscler Thromb Vasc Biol, 1995. 15 (5) : p. 678-82.|[2]Santodomingo-Garzón T, et al. Atorvastatin inhibits inflammatory hypernociception. Br J Pharmacol. 2006 Sep;149 (1) :14-22.|[3]Turner NA, et al. Comparison of the efficacies of five different statins on inhibition of human saphenous vein smooth muscle cell proliferation and invasion. J Cardiovasc Pharmacol. 2007 Oct;50 (4) :458-61.|[4]Song XJ, et al. Atorvastatin inhibits myocardial cell apoptosis in a rat model with post-myocardial infarction heart failure by downregulating ER stress response. Int J Med Sci. 2011;8 (7) :564-72.|[5] Li Y, et al. Inhibition of endoplasmic reticulum stress signaling pathway: A new mechanism of statins to suppress the development of abdominal aortic aneurysm. PLoS One. 2017 Apr 3;12 (4) :e0174821.|[6]Ming-Bai Hu, et al. Atorvastatin induces autophagy in MDA-MB-231 breast cancer cells. Ultrastruct Pathol. Sep-Oct 2018;42 (5) :409-415.|[7]Systemic drugs with impact on osteoarthritis

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

Phase 4

Chemical Information

Atorvastatin strontium

CAS Number	1072903-92-4
PubChem CID	24875347
IUPAC Name	strontium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)
Molecular Formula	C66H68F2N4O10Sr
Molecular Weight	1202.9
Topological Polar Surface Area	229
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	22
Heavy Atom Count	83
Formal Charge	0
Complexity	817

SMILES

CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Sr+2]

InChI

InChI=1S/2C33H35FN2O5.Sr/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1

InChIKey

GPNFRRPXCRWXHN-MNSAWQCASA-L

Chemical Structure

2D Structure

CAS: 1072903-92-4

CID: 24875347

Formula: C66H68F2N4O10Sr

MW: 1202.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1202.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	22
Exact Mass	1202.39596296
Monoisotopic Mass	1202.39596296
Topological Polar Surface Area	229 Å²
Heavy Atom Count	83
Formal Charge	0
Complexity	817
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Atorvastatin (strontium)

Chemical Information

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