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Ruboxistaurin (Standard)

CAT: 0804-HY-10195RSize: 1 EachDry Ice: NoHazardous: No
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Description
Ruboxistaurin (Standard) is the analytical standard of Ruboxistaurin. This product is intended for research and analytical applications. Ruboxistaurin (LY333531) is an orally active, selective PKC beta inhibitor (Ki=2 nM) . Ruboxistaurin exhibits ATP dependent competitive inhibition of PKC beta I with an IC50 of 4.7 nM. Ruboxistaurin inhibits PKC beta II with an IC50 of 5.9 nM[1][2].
CAS Number
169939-94-0
Product Name Alternative
LY333531 (Standard)
UNSPSC
12352005
Target
PKC; Reference Standards
Related Pathways
Epigenetics; Others; TGF-beta/Smad
Field of Research
Metabolic Disease
Smiles
O=C1NC(C(C2=CN(C3=CC=CC=C32)CCO[C@H](CN(C)C)CC4)=C1C5=CN4C6=CC=CC=C56)=O
Molecular Formula
C28H28N4O3
Molecular Weight
468.55
References & Citations
[1]Jirousek MR, et al. (S) -13-[ (dimethylamino) methyl]-10,11,14,15-tetrahydro-4,9:16, 21-dimetheno-1H, 13H-dibenzo[e, k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecene-1,3 (2H) -d ione (LY333531) and related analogues: isozyme selective inhibitors of protein kinase C beta. J Med Chem. 1996;39 (14) :2664-2671.|[2]Ruboxistaurin: LY 333531. Drugs R D. 2007;8 (3) :193-199.|[3]Kunt T, et al. The beta-specific protein kinase C inhibitor ruboxistaurin (LY333531) suppresses glucose-induced adhesion of human monocytes to endothelial cells in vitro. J Diabetes Sci Technol. 2007 Nov;1 (6) :929-35.|[4]Nonaka A, et al. PKC-beta inhibitor (LY333531) attenuates leukocyte entrapment in retinal microcirculation of diabetic rats. Invest Ophthalmol Vis Sci. 2000 Aug;41 (9) :2702-6.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Ruboxistaurin

Ruboxistaurin has been investigated for the basic science of Type 2 Diabetes Mellitus and Type 1 Diabetes Mellitus.

CAS Number169939-94-0
PubChem CID153999
IUPAC Name(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
Molecular FormulaC28H28N4O3
Molecular Weight468.5
XLogP2.7
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity872
SMILES
CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O
InChI
InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
InChIKey
ZCBUQCWBWNUWSU-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Ruboxistaurin
CAS: 169939-94-0
CID: 153999
Formula: C28H28N4O3
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass468.21614077
Monoisotopic Mass468.21614077
Topological Polar Surface Area68.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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