| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
CKIδ 6.5376 M (pIC50)
Casein kinase 1δ-IN-3 targets casein kinase 1 delta (CK1δ), a serine/threonine protein kinase involved in various cellular processes including circadian rhythm regulation, Wnt signaling, and neurodegenerative disease pathogenesis. CK1δ has been implicated in the pathogenesis of amyotrophic lateral sclerosis (ALS) and other neurodegenerative disorders. The compound has a pIC50 of 6.5376 M for CK1δ. |
|---|---|
| ln Vitro |
Casein kinase 1δ-IN-3 demonstrates in vitro activity against CK1δ with a pIC50 of 6.5376 M. It is a small molecule inhibitor that binds to CK1δ and inhibits its kinase activity. The compound has been identified through computer-aided scaffold hopping studies aimed at identifying novel CK1δ inhibitors for the treatment of amyotrophic lateral sclerosis. Further in vitro studies are needed to fully characterize its potency and selectivity.
|
| ln Vivo |
In vivo activity data for Casein kinase 1δ-IN-3 are not extensively documented in the available literature. As a CK1δ inhibitor, it is expected to exhibit activity in animal models of neurodegenerative diseases such as amyotrophic lateral sclerosis. Comprehensive in vivo studies are needed to evaluate its efficacy, pharmacokinetics, and safety profile.
|
| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for Casein kinase 1δ-IN-3 involves assessing its inhibition of CK1δ kinase activity. Recombinant CK1δ is incubated with the compound, ATP, and a substrate peptide. Kinase activity is measured by detecting phosphorylated substrate using techniques such as radiometric assays or fluorescence-based assays. The pIC50 value of 6.5376 M is determined from dose-response curves.
|
| Cell Assay |
The in vitro cell-based assay for Casein kinase 1δ-IN-3 involves treating cells with the compound and measuring CK1δ-dependent signaling and functional responses. Cells expressing CK1δ are treated with the compound, and downstream phosphorylation of CK1δ substrates is assessed by Western blotting or ELISA. Cellular effects related to neurodegenerative disease pathogenesis, such as changes in protein aggregation or cell survival, may also be measured.
|
| Animal Protocol |
In vivo animal experiments for Casein kinase 1δ-IN-3 are conducted in models of neurodegenerative diseases such as amyotrophic lateral sclerosis. Animals are administered the compound via appropriate routes, and disease progression is monitored through behavioral tests, histopathological analysis, and measurement of neuroinflammatory and neurodegenerative markers. The compound’s ability to inhibit CK1δ and modify disease progression is assessed.
|
| ADME/Pharmacokinetics |
Detailed pharmacokinetic properties of Casein kinase 1δ-IN-3 are not extensively reported. The compound has a molecular weight of 312.39 g/mol and a molecular formula of C17H16N2O2S. It is soluble in DMSO (62.5 mg/mL, 200.07 mM). The compound is typically stored at -20°C and shipped with an ice pack. Further pharmacokinetic studies are needed to determine its half-life and bioavailability.
|
| Toxicity/Toxicokinetics |
Toxicological data for Casein kinase 1δ-IN-3 are not extensively documented. As a research compound, its safety profile is evaluated in standard cytotoxicity and acute toxicity assays. The compound is classified for research use only and is not intended for human therapeutic use. Comprehensive toxicological characterization would be required prior to any clinical development.
|
| References | |
| Additional Infomation |
Casein kinase 1δ-IN-3 (CAS 349438-77-3) is an inhibitor of casein kinase 1 delta (CK1δ) with a pIC50 of 6.5376 M. It has a molecular weight of 312.39 g/mol and a formula of C17H16N2O2S. The compound is also known as Compound 23a. It is used in research on neurodegenerative diseases including amyotrophic lateral sclerosis. It is not approved for clinical use and is available only for research purposes. Purity is >98%.
|
| Molecular Formula |
C17H16N2O2S
|
|---|---|
| Molecular Weight |
312.39
|
| Exact Mass |
312.093
|
| CAS # |
349438-77-3
|
| PubChem CID |
670753
|
| Appearance |
White to off-white solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Index of Refraction |
1.680
|
| LogP |
3.99
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
393
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=CC=C3OC
|
| InChi Key |
GSEJFQATWFVODO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C17H16N2O2S/c1-11-7-8-13-15(9-11)22-17(18-13)19-16(20)10-12-5-3-4-6-14(12)21-2/h3-9H,10H2,1-2H3,(H,18,19,20)
|
| Chemical Name |
2-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 62.5 mg/mL (200.07 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2011 mL | 16.0056 mL | 32.0113 mL | |
| 5 mM | 0.6402 mL | 3.2011 mL | 6.4023 mL | |
| 10 mM | 0.3201 mL | 1.6006 mL | 3.2011 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
