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Roy-Bz

CAT: 1410-M10997-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10997-02Size:5 mg
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Description
Roy-Bz is the first small-molecule PKCδ-selective activator with EC50 of 58.5 nM, binds to the PKCδ-C1-domain.
CAS Number
1246304-91-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
598.692
Molecular Formula
C36H38O8
Notes
Research use only, not for human use.
Receptor
PKC

Chemical Information

Roy-Bz
CAS Number1246304-91-5
PubChem CID49777789
IUPAC Name[(4bS,8aS,9S,10S)-10-acetyloxy-3-benzoyloxy-4b,8,8-trimethyl-1,4-dioxo-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] benzoate
Molecular FormulaC36H38O8
Molecular Weight598.7
XLogP7.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1270
SMILES
CC(C)C1=C(C(=O)C2=C(C1=O)[C@@H]([C@H]([C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C36H38O8/c1-20(2)24-27(38)25-26(28(39)29(24)43-33(40)22-14-9-7-10-15-22)36(6)19-13-18-35(4,5)32(36)31(30(25)42-21(3)37)44-34(41)23-16-11-8-12-17-23/h7-12,14-17,20,30-32H,13,18-19H2,1-6H3/t30-,31+,32-,36+/m0/s1
InChIKey
JDMIZWGROWRASS-BSYZOHBLSA-N
Chemical Structure
2D Structure
2D structure of Roy-Bz
CAS: 1246304-91-5
CID: 49777789
Formula: C36H38O8
MW: 598.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.7
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass598.25666817
Monoisotopic Mass598.25666817
Topological Polar Surface Area113 Ų
Heavy Atom Count44
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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