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HTS10307

CAT: 0013-GTR19273895-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273895-02Size:10 mg
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Description
HTS10307 is a small-molecule inhibitor of the AP1 transcription factor ΔFOSB. It inhibits the binding of ΔFOSB with JUND and DNA, with IC50 values of approximately ~3 μM and ~7 μM, respectively. HTS10307 serves as a chemical probe for investigating the role of ΔFOSB in pathological conditions such as drug addiction, Alzheimer's disease, and Parkinson's disease.
CAS Number
81682-91-9
Smiles
N#CC=1C (=O) NC (=CC1C=2OC=CC2) C=3SC=CC3
Molecular Formula
C14H8N2O2S
Molecular Weight
268.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2-Furyl)-2-oxo-6-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile

4-(2-furyl)-2-oxo-6-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile is a nitrile and a member of pyridines.

CAS Number81682-91-9
PubChem CID2815329
IUPAC Name4-(furan-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
Molecular FormulaC14H8N2O2S
Molecular Weight268.29
XLogP1.8
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity515
SMILES
C1=COC(=C1)C2=C(C(=O)NC(=C2)C3=CC=CS3)C#N
InChI
InChI=1S/C14H8N2O2S/c15-8-10-9(12-3-1-5-18-12)7-11(16-14(10)17)13-4-2-6-19-13/h1-7H,(H,16,17)
InChIKey
QIJGSXWHQIOUEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Furyl)-2-oxo-6-(2-thienyl)-1,2-dihydro-3-pyridinecarbonitrile
CAS: 81682-91-9
CID: 2815329
Formula: C14H8N2O2S
MW: 268.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.29
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.03064868
Monoisotopic Mass268.03064868
Topological Polar Surface Area94.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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