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Pinokalant

CAT: 0804-HY-124304-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124304-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pinokalant is a broad-spectrum and non-selectivecation channel inhibitor. Pinokalant significantly reduces cortical infarct volume. Pinokalant o improves the metabolic and electrophysiologic status of the ischemic penumbra. Pinokalant reduces lesion size on magnetic resonance images in the acute phase following middle cerebral artery occlusion in rats. Pinokalant has the potential for the research of stroke. Pinokalant also shows anti-SARS-CoV-2 activity[1].
CAS Number
149759-26-2
Product Name Alternative
LOE-908
UNSPSC
12352005
Target
SARS-CoV; TRP Channel
Type
Reference compound
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/pinokalant.html
Purity
99.09
Solubility
DMSO : 7.2 mg/mL (ultrasonic; warming)
Smiles
O=C(C(C1=NCCC2=C1C=C(C(OC)=C2)OC)C3=CC=CC=C3)N(CCC4=CC=C(C(OC)=C4OC)OC)CCC5=CC=C(C(OC)=C5OC)OC
Molecular Formula
C41H48N2O9
Molecular Weight
712.83
References & Citations
[1]Christensen T, et al. The broad-spectrum cation channel blocker pinokalant (LOE 908 MS) reduces brain infarct volume in rats: a temperature-controlled histological study. Basic Clin Pharmacol Toxicol. 2005 Apr;96 (4) :316-24. |[2]Simard JM, et al. Non-selective cation channels, transient receptor potential channels and ischemic stroke. Biochim Biophys Acta. 2007 Aug;1772 (8) :947-57.|[3]Serdar Durdagi, et al. Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study. 2020.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Loe 908

inhibitor of receptor-activated nonselective cation currents in HL-60 cells; structure given in first source

CAS Number149759-26-2
PubChem CID122081
IUPAC Name2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
Molecular FormulaC41H48N2O9
Molecular Weight712.8
XLogP6.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count52
Formal Charge0
Complexity1060
SMILES
COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC
InChI
InChI=1S/C41H48N2O9/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36/h9-17,24-25,35H,18-23H2,1-8H3
InChIKey
PYWYBTRACMRUQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Loe 908
CAS: 149759-26-2
CID: 122081
Formula: C41H48N2O9
MW: 712.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight712.8
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass712.33598111
Monoisotopic Mass712.33598111
Topological Polar Surface Area107 Ų
Heavy Atom Count52
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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