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(E/Z) -NiCur

CAT: 0013-GTR19165778-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165778-02Size:5 mg
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Description
This compound is a potent p53 inhibitor with an IC50 of 0.35 μM. It is used in biochemical research to study p53-dependent pathways, facilitating in vitro investigations into cell cycle regulation, apoptosis, and oncogenesis.
CAS Number
63476-70-0
Product Name Alternative
Benzonitrile, 3,3' [ (2 oxo 1,3 cyclohexanediylidene) dimethylidyne]bis, Benzonitrile, 3,3'[ (2oxo1,3cyclohexanediylidene) dimethylidyne]bis, p53
Field of Research
Cell Biology, Epigenetics & Chromatin
Purity
98.97% (May vary between batches)
Solubility
DMSO:11 mg/mL (33.91 mM)
Smiles
C (=C1C (=O) C (=CC2=CC (C#N) =CC=C2) CCC1) C3=CC (C#N) =CC=C3
Molecular Formula
C22H16N2O
Molecular Weight
324.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,3'-((2-Oxocyclohexane-1,3-diylidene)bis(methanylylidene))dibenzonitrile
CAS Number63476-70-0
PubChem CID85438922
IUPAC Name3-[[3-[(3-cyanophenyl)methylidene]-2-oxocyclohexylidene]methyl]benzonitrile
Molecular FormulaC22H16N2O
Molecular Weight324.4
XLogP4.5
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity613
SMILES
C1CC(=CC2=CC(=CC=C2)C#N)C(=O)C(=CC3=CC(=CC=C3)C#N)C1
InChI
InChI=1S/C22H16N2O/c23-14-18-6-1-4-16(10-18)12-20-8-3-9-21(22(20)25)13-17-5-2-7-19(11-17)15-24/h1-2,4-7,10-13H,3,8-9H2
InChIKey
LENALXRGKSPEKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-((2-Oxocyclohexane-1,3-diylidene)bis(methanylylidene))dibenzonitrile
CAS: 63476-70-0
CID: 85438922
Formula: C22H16N2O
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass324.126263138
Monoisotopic Mass324.126263138
Topological Polar Surface Area64.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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