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ICA 110381

CAT: 0804-HY-108587-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108587-01Size:5 mg
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Description
ICA 110381 is an orally active Kv7.2/Kv7.3 (KCNQ2/3) potassium channel activator with anticonvulsive properties. ICA 110381 is a KCNQ2/Q3 activator (EC50=0.38 μM) as well as KCNQ1 antagonist (IC50=15 μM) [1].
CAS Number
325457-99-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ica-110381.html
Purity
99.85
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(Cl)N=C1)C2=CC=C(Cl)C=C2
Molecular Formula
C12H8Cl2N2O
Molecular Weight
267.11
Precautions
H302, H315, H319, H335
References & Citations
[1]Amato G, et al. N-Pyridyl and Pyrimidine Benzamides as KCNQ2/Q3 Potassium Channel Openers for the Treatment of Epilepsy. ACS Med Chem Lett. 2011 Mar 31;2 (6) :481-4.|[2]A Boehlen, et al. The new KCNQ2 activator 4-Chlor-N- (6-chlor-pyridin-3-yl) -benzamid displays anticonvulsant potential. Br J Pharmacol. 2013 Mar;168 (5) :1182-200.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Voltage-gated potassium channel

Chemical Information

4-chloro-N-(6-chloropyridin-3-yl)benzamide
CAS Number325457-99-6
PubChem CID4314115
IUPAC Name4-chloro-N-(6-chloro-3-pyridinyl)benzamide
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.11
XLogP3.3
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity267
SMILES
C1=CC(=CC=C1C(=O)NC2=CN=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17)
InChIKey
FOYOGIUAMYSVIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-chloro-N-(6-chloropyridin-3-yl)benzamide
CAS: 325457-99-6
CID: 4314115
Formula: C12H8Cl2N2O
MW: 267.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight267.11
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.0013683
Monoisotopic Mass266.0013683
Topological Polar Surface Area42 Ų
Heavy Atom Count17
Formal Charge0
Complexity267
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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