| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
CASK-IN-1 targets the pseudokinase CASK (Ca2+/calmodulin-dependent Ser/Thr kinase). It is a highly potent and selective inhibitor, binding with a dissociation constant (Kd) of 0.022 μM. By inhibiting CASK, it serves as a tool to study the role of this protein in various cellular processes.
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|---|---|
| ln Vitro |
In vitro, CASK-IN-1 demonstrates high binding affinity for its target, CASK, with a Kd of 0.022 μM. This indicates its potent inhibitory activity at the molecular level. It is a highly selective probe, meaning it has minimal off-target effects against other kinases.
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| ln Vivo |
In vivo data for CASK-IN-1 are not available in the public domain. As a highly potent and selective chemical probe, it is primarily a tool for in vitro and cellular studies to elucidate the function of CASK. Animal studies would be needed to evaluate its in vivo efficacy and pharmacokinetics.
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| Enzyme Assay |
Cell-free assays for CASK-IN-1 involve binding studies to determine its affinity for CASK. The Kd value of 0.022 μM is likely determined using techniques such as surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). These assays measure the direct binding interaction between the inhibitor and the purified CASK protein.
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| Cell Assay |
Cellular assays for CASK-IN-1 are used to study the effects of CASK inhibition on cell signaling and function. Cells expressing CASK are treated with the inhibitor, and downstream signaling events are monitored. These studies would help elucidate the role of CASK in various cellular pathways, such as those involved in neuronal development or cancer.
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| Animal Protocol |
In vivo animal studies for CASK-IN-1 have not been reported. As a research tool, its primary application is in vitro. Future studies could involve its use in animal models of diseases where CASK is implicated, such as neurological disorders or cancer, to assess its therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CASK-IN-1 are not publicly available. As a small molecule (MW 610.34), it may have reasonable bioavailability, but this has not been established. The compound is typically stored as a powder at -20°C and is soluble in DMSO.
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| Toxicity/Toxicokinetics |
Toxicological data for CASK-IN-1 are not available. It is a research compound for laboratory use only and is not intended for human therapeutic applications. Standard safety precautions should be followed when handling this chemical.
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| References |
[1]. Russ N, et al. Design and Development of a Chemical Probe for Pseudokinase Ca2+/calmodulin-Dependent Ser/Thr Kinase. J Med Chem. 2021 Oct 14;64(19):14358-14376.
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| Additional Infomation |
CASK-IN-1 is a highly potent and selective chemical probe designed for studying the pseudokinase CASK. Its high specificity makes it a valuable tool for target validation and for investigating the biological role of CASK in health and disease. No clinical trials or approvals have been reported.
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| Exact Mass |
610.073
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|---|---|
| CAS # |
2755241-73-5
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| PubChem CID |
155908701
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
35
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| Complexity |
713
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(C=C1Br)CNC2=NC=C(C(=N2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Br
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| InChi Key |
BPLPIBNWDLPUKP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H30Br2N6O3/c1-15-11-20(26)16(12-19(15)25)13-28-23-29-14-18(21(31-23)30-17-5-2-3-6-17)22(33)27-7-4-8-32-9-10-35-24(32)34/h11-12,14,17H,2-10,13H2,1H3,(H,27,33)(H2,28,29,30,31)
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| Chemical Name |
4-(cyclopentylamino)-2-[(2,5-dibromo-4-methylphenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| 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.) |
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.
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