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AUT2

CAT: 0931-T201987-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201987-01Size:10 mg
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CAS Number
1311137-58-2
Bioactivity
AUT2 is a Kv3.1 channel modulator with the potential to treat sensory hyperreactivity in patients with FXS by shifting the activation of high-threshold currents to more negative potentials. This shift reduces high-threshold K+ currents and increases low-threshold K+ currents in neurons, restoring wave IV of the ABR. Due to its ability to regulate neuronal excitability, AUT2 is also promising for the treatment of hearing impairments.
Smiles
O=C1N(C(=O)N[C@@H]1CC)C=2C=CC(OC3=CC(C(C)C)=C(C#N)C=C3)=NC2
Molecular Formula
C20H20N4O3
Molecular Weight
364.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-4-((5-(4-Ethyl-2,5-dioxoimidazolidin-1-yl)pyridin-2-yl)oxy)-2-isopropylbenzonitrile
CAS Number1311137-58-2
PubChem CID53241403
IUPAC Name4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-2-propan-2-ylbenzonitrile
Molecular FormulaC20H20N4O3
Molecular Weight364.4
XLogP3.3
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity614
SMILES
CC[C@@H]1C(=O)N(C(=O)N1)C2=CN=C(C=C2)OC3=CC(=C(C=C3)C#N)C(C)C
InChI
InChI=1S/C20H20N4O3/c1-4-17-19(25)24(20(26)23-17)14-6-8-18(22-11-14)27-15-7-5-13(10-21)16(9-15)12(2)3/h5-9,11-12,17H,4H2,1-3H3,(H,23,26)/t17-/m1/s1
InChIKey
XIOQUVPRNWUTBF-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-((5-(4-Ethyl-2,5-dioxoimidazolidin-1-yl)pyridin-2-yl)oxy)-2-isopropylbenzonitrile
CAS: 1311137-58-2
CID: 53241403
Formula: C20H20N4O3
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass364.15354051
Monoisotopic Mass364.15354051
Topological Polar Surface Area95.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity614
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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