Atorvastatin

CAT: 0013-GTR19172413-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19172413-01Size:5 mg

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Description

Atorvastatin is an oral HMG-CoA reductase inhibitor that lowers lipids via cytochrome P450 activation. It inhibits human SV-SMC cell proliferation and invasion with IC50 values of 0.39 μM and 2.39 μM, respectively. Research applications include studying cardiovascular disease mechanisms and drug interactions, such as a potential pro-thrombotic effect when combined with clopidogrel.

CAS Number

134523-00-5

Product Name Alternative

Atorvastatin, Autophagy, Inhibitor, inhibit, HMGCR, HMG-CoA reductase, HMG-CoA Reductase (HMGCR), HMGCoAReductase, HMGCoA Reductase

Field of Research

Cell Biology, Metabolism Research, Pharmacology & Drug Discovery

Purity

98.84% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.91 mM) ; DMSO:242.5 mg/mL (434.09 mM)

Smiles

C (NC1=CC=CC=C1) (=O) C=2C (=C (N (CC[C@H] (C[C@H] (CC (O) =O) O) O) C2C (C) C) C3=CC=C (F) C=C3) C4=CC=CC=C4

Molecular Formula

C33H35FN2O5

Molecular Weight

558.64

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Atorvastatin

Atorvastatin is a dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. It has a role as a xenobiotic and an environmental contaminant. It is a member of pyrroles, a dihydroxy monocarboxylic acid, an aromatic amide, a member of monofluorobenzenes and a statin (synthetic). It is functionally related to a heptanoic acid. It is a conjugate acid of an atorvastatin(1-).

CAS Number	134523-00-5
PubChem CID	60823
IUPAC Name	(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Molecular Formula	C33H35FN2O5
Molecular Weight	558.6
XLogP	5
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	41
Formal Charge	0
Complexity	822

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

InChI

InChI=1S/C33H35FN2O5/c1-21(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/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1

InChIKey

XUKUURHRXDUEBC-KAYWLYCHSA-N

Chemical Structure

2D Structure

CAS: 134523-00-5

CID: 60823

Formula: C33H35FN2O5

MW: 558.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	558.6
XLogP3	5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	558.25300038
Monoisotopic Mass	558.25300038
Topological Polar Surface Area	112 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	822
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FA156586-01	Atorvastatin

Atorvastatin

Chemical Information

Alternative Products

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