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NS13001

CAT: 0804-HY-102070-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-102070-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NS13001 is a potent, selective, orally active allosteric positive modulator of SK channels (small conductance calcium-activated potassium channels) . The EC50s are 1.8 and 0.14 μM for SK2 and SK3, respectively. NS13001 holds promise as a potential therapeutic agent for treatment of spinocerebellar ataxia type 2 (SCA2) and possibly other cerebellar ataxias[1].
CAS Number
1063331-94-1
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/ns13001.html
Purity
99.62
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN1C=NC2=C(NC3=CC=C(Cl)C=C3)N=C(N4N=C(C)C=C4C)N=C12
Molecular Formula
C17H16ClN7
Molecular Weight
353.81
Precautions
H302, H315, H319, H335
References & Citations
[1]Kasumu AW, et al. Selective positive modulator of calcium-activated potassium channels exerts beneficial effects in a mouse model of spinocerebellar ataxia type 2. Chem Biol. 2012 Oct 26;19 (10) :1340-53.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

NS13001
CAS Number1063331-94-1
PubChem CID44472568
IUPAC NameN-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
Molecular FormulaC17H16ClN7
Molecular Weight353.8
XLogP3.7
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
CC1=CC(=NN1C2=NC(=C3C(=N2)N(C=N3)C)NC4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C17H16ClN7/c1-10-8-11(2)25(23-10)17-21-15(14-16(22-17)24(3)9-19-14)20-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,20,21,22)
InChIKey
DVQOPNIPUIOXHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NS13001
CAS: 1063331-94-1
CID: 44472568
Formula: C17H16ClN7
MW: 353.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.8
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass353.1155712
Monoisotopic Mass353.1155712
Topological Polar Surface Area73.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
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

Alternative Products

CatalogName
BA6902-25NS13001
A15833-100NS13001 100mg
A15833-10NS13001 10mg
A15833-50NS13001 50mg
A15833-25NS13001 25mg
A15833-5NS13001 5mg
A15833-2NS13001 2mg
A15833-10mM-DNS13001 10mM * 1mL in DMSO

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