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Tert-Buthyl Pitavastatin

CAT: 0013-GTR19175707Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175707Size:200 mg
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Description
Tert-Butyl Pitavastatin is a metabolite of the potent HMG-CoA reductase inhibitor Pitavastatin. This small molecule is used in research to study statin metabolism, pharmacokinetics, and pharmacodynamics in both in vitro enzymatic assays and in vivo metabolic models.
CAS Number
586966-54-3
Product Name Alternative
Drug Metabolite, inhibit, Inhibitor, metabolite, HMGCoAReductase, HMG-CoA reductase, HMGCoA Reductase, Tert Buthyl Pitavastatin, TertButhyl Pitavastatin, Tert-Buthyl Pitavastatin, tert-Buthyl Pitavastatin
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.57% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:3.3 mg/mL (6.91 mM) ; DMSO:78 mg/mL (163.33 mM)
Smiles
CC (C) (C) OC (=O) C[C@H] (O) C[C@H] (O) \C=C\c1c (nc2ccccc2c1-c1ccc (F) cc1) C1CC1
Molecular Formula
C29H32FNO4
Molecular Weight
477.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl pitavastatin
CAS Number586966-54-3
PubChem CID10299312
IUPAC Nametert-butyl (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Molecular FormulaC29H32FNO4
Molecular Weight477.6
XLogP4.8
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity725
SMILES
CC(C)(C)OC(=O)C[C@@H](C[C@@H](/C=C/C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O
InChI
InChI=1S/C29H32FNO4/c1-29(2,3)35-26(34)17-22(33)16-21(32)14-15-24-27(18-10-12-20(30)13-11-18)23-6-4-5-7-25(23)31-28(24)19-8-9-19/h4-7,10-15,19,21-22,32-33H,8-9,16-17H2,1-3H3/b15-14+/t21-,22-/m1/s1
InChIKey
RCARMBIYAHBUHR-UQECUQMJSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl pitavastatin
CAS: 586966-54-3
CID: 10299312
Formula: C29H32FNO4
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass477.23153666
Monoisotopic Mass477.23153666
Topological Polar Surface Area79.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity725
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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