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Balanol

CAT: 0013-GTR19200680-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200680-03Size:100 mg
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Description
Balanol is a potent and cell-permeable inhibitor that competitively targets the ATP-binding sites of Protein Kinase C (PKC) and Protein Kinase A (PKA) . It is widely used as a pharmacological tool in biochemical and cellular research to investigate kinase signaling pathways in both in vitro assays and in vivo models.
CAS Number
63590-19-2
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
C (=O) (C1=C (C (O) =O) C=CC=C1O) C2=C (O) C=C (C (O[C@H]3[C@H] (NC (=O) C4=CC=C (O) C=C4) CNCCC3) =O) C=C2O
Molecular Formula
C28H26N2O10
Molecular Weight
550.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Balanol
CAS Number63590-19-2
PubChem CID5287736
IUPAC Name2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
Molecular FormulaC28H26N2O10
Molecular Weight550.5
XLogP0.7
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity911
SMILES
C1C[C@H]([C@@H](CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O
InChI
InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
InChIKey
XYUFCXJZFZPEJD-XMSQKQJNSA-N
Chemical Structure
2D Structure
2D structure of Balanol
CAS: 63590-19-2
CID: 5287736
Formula: C28H26N2O10
MW: 550.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.5
XLogP30.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass550.15874503
Monoisotopic Mass550.15874503
Topological Polar Surface Area203 Ų
Heavy Atom Count40
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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