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(E) -Azimilide

CAT: 0804-HY-18600BSize: 1 EachDry Ice: NoHazardous: No
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Description
(E) -Azimilide is an isomer of Azimilide , a class of antiarrhythmic compounds that inhibit I (Ks) and I (Kr) activity[1].
CAS Number
1294552-65-0
Product Name Alternative
(E) -NE-10064
UNSPSC
12352005
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/e-azimilide.html
Smiles
O=C(N(C(C1)=O)CCCCN2CCN(CC2)C)N1/N=C/C3=CC=C(C4=CC=C(C=C4)Cl)O3
Molecular Formula
C23H28ClN5O3
Molecular Weight
457.95
References & Citations
[1]Optimization method for assessing cardiac safety risk with high-throughput hERG. China, CN109856349 A 2019-06-07.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Azimilide

Azimilide is an imidazolidine-2,4-dione.

CAS Number1294552-65-0
PubChem CID9571004
IUPAC Name1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
Molecular FormulaC23H28ClN5O3
Molecular Weight458.0
XLogP3.2
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity677
SMILES
CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+
InChIKey
MREBEPTUUMTTIA-PCLIKHOPSA-N
Chemical Structure
2D Structure
2D structure of Azimilide
CAS: 1294552-65-0
CID: 9571004
Formula: C23H28ClN5O3
MW: 458.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.0
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass457.1880675
Monoisotopic Mass457.1880675
Topological Polar Surface Area72.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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