Synonym
NS13001; NS 13001; NS-13001.
IUPAC/Chemical Name
N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
InChi Key
DVQOPNIPUIOXHU-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
CN1C=NC2=C(NC3=CC=C(Cl)C=C3)N=C(N4N=C(C)C=C4C)N=C12
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Biological target:
NS13001 is a potent, selective, orally active allosteric positive modulator of SK channels (small conductance calcium-activated potassium channels).
In vitro activity:
In experiments using inside-out patches, 1 μM NS13001 potently activated hSK3, less potently hSK2 and had no activating effect on hSK1 (Fig S2) or hIK channels (data not shown). Application of NS13001 in the range from 0.001 μM to 10 μM to the inside of the patch at a [Ca2+]i of 0.2 μM resulted in a concentration-dependent increase in the hSK3 current (Fig 3B, broken lines).
Reference: Chem Biol. 2012 Oct 26;19(10):1340-53. https://pubmed.ncbi.nlm.nih.gov/23102227/
In vivo activity:
In contrast to WT mice, NS13001-fed 58Q mice demonstrated significantly improved performance following treatment with the compound. There was also a significant increase in the latency to fall off the accelerating rod following feeding of 58Q mice with NS13001 (Figure 4C, p < 0.05). Treatment with CyPPA also resulted in improved motor performance of 58Q mice, although beneficial effects were less pronounced than for NS13001.
Reference: Chem Biol. 2012 Oct 26;19(10):1340-53. https://pubmed.ncbi.nlm.nih.gov/23102227/
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMF |
20.0 |
56.53 |
| DMSO |
60.0 |
169.58 |
| Ethanol |
0.5 |
1.41 |
| PBS (pH 7.2) |
0.3 |
0.85 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
353.81
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
Formulation protocol:
Kasumu AW, Hougaard C, Rode F, Jacobsen TA, Sabatier JM, Eriksen BL, Strøbæk D, Liang X, Egorova P, Vorontsova D, Christophersen P, Rønn LC, Bezprozvanny I. 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. doi: 10.1016/j.chembiol.2012.07.013. PMID: 23102227; PMCID: PMC3483567.
In vitro protocol:
Kasumu AW, Hougaard C, Rode F, Jacobsen TA, Sabatier JM, Eriksen BL, Strøbæk D, Liang X, Egorova P, Vorontsova D, Christophersen P, Rønn LC, Bezprozvanny I. 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. doi: 10.1016/j.chembiol.2012.07.013. PMID: 23102227; PMCID: PMC3483567.
In vivo protocol:
Kasumu AW, Hougaard C, Rode F, Jacobsen TA, Sabatier JM, Eriksen BL, Strøbæk D, Liang X, Egorova P, Vorontsova D, Christophersen P, Rønn LC, Bezprozvanny I. 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. doi: 10.1016/j.chembiol.2012.07.013. PMID: 23102227; PMCID: PMC3483567.
1: Coleman N, Brown BM, Oliván-Viguera A, Singh V, Olmstead MM, Valero MS, Köhler R, Wulff H. New positive Ca2+-activated K+ channel gating modulators with selectivity for KCa3.1. Mol Pharmacol. 2014 Sep;86(3):342-57. doi: 10.1124/mol.114.093286. Epub 2014 Jun 23. PubMed PMID: 24958817; PubMed Central PMCID: PMC4152908.
2: Lam J, Coleman N, Garing AL, Wulff H. The therapeutic potential of small-conductance KCa2 channels in neurodegenerative and psychiatric diseases. Expert Opin Ther Targets. 2013 Oct;17(10):1203-20. doi: 10.1517/14728222.2013.823161. Epub 2013 Jul 25. Review. PubMed PMID: 23883298; PubMed Central PMCID: PMC3778119.
3: Kasumu AW, Hougaard C, Rode F, Jacobsen TA, Sabatier JM, Eriksen BL, Strøbæk D, Liang X, Egorova P, Vorontsova D, Christophersen P, Rønn LC, Bezprozvanny I. 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. doi: 10.1016/j.chembiol.2012.07.013. PubMed PMID: 23102227; PubMed Central PMCID: PMC3483567.
