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| Targets |
The primary target of CS587 is CaMK1D, a member of the CaMK family of serine/threonine kinases. It acts as a specific inhibitor of this enzyme. CaMK1D is involved in various cellular processes, including neuronal survival, synaptic plasticity, and the cellular response to stress signals such as amyloid-beta (Abeta) oligomers.
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| ln Vitro |
In vitro, CS587 is characterized as a specific inhibitor of CaMK1D. It modulates the sensitivity of neuronal cells to the toxic effects of Abeta oligomers. At a concentration of 10 uM, CS587 exhibits neurocytotoxicity, indicating that it directly affects neuronal cell viability at higher doses while altering cellular responses to pathological protein aggregation at lower doses.
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| ln Vivo |
In vivo activity data for CS587 is not well-documented. As a specific inhibitor of CaMK1D, its primary application is expected to be in cellular and ex vivo models of neurodegeneration. Potential in vivo studies could involve administering CS587 in rodent models of Alzheimer's disease to determine the contribution of CaMK1D to Abeta-mediated pathology and cognitive deficits.
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| Enzyme Assay |
No specific non-cellular protocol for CS587 is provided. As a kinase inhibitor, its binding affinity and selectivity can be assessed using a standard radiometric or mobility-shift kinase assay. Recombinant CaMK1D is incubated with a peptide substrate, [gamma-32P]ATP, and varying concentrations of CS587. The reaction is stopped, and phosphorylated substrate is quantified to calculate IC50.
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| Cell Assay |
In a standard cellular assay, primary neuronal cultures or neuronal cell lines (e.g., SH-SY5Y) are treated with CS587 at various concentrations (0.1-100 uM) for 24-48 hours. Following treatment, cells are exposed to Abeta oligomers to induce toxicity. Cell viability is assessed using MTT or LDH assays, and the compound's ability to modulate Abeta-induced cell death is measured. Western blotting for CaMK1D autophosphorylation can confirm target engagement.
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| Animal Protocol |
No detailed in vivo animal protocol for CS587 is described. For potential in vivo efficacy studies, a mouse model of Abeta-induced neurotoxicity would be used. CS587 would be administered, typically via intracerebroventricular (ICV) or intraperitoneal (IP) injection, prior to or concurrently with Abeta injection. Behavioral tests (e.g., Morris water maze) and histological analysis of brain sections for neuronal loss would be performed.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for CS587 is not provided in the available references. As a small-molecule inhibitor with a molecular weight of approximately 446.55 g/mol and a LogP of 2.7, it may have moderate permeability and could be formulated for in vivo administration in DMSO-based vehicles (e.g., 10% DMSO, 40% PEG300, 5% Tween 80, 45% saline).
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| Toxicity/Toxicokinetics |
In vitro neurotoxicity data indicates that CS587 is neurotoxic at a concentration of 10 uM. This concentration-dependent toxicity is a critical consideration for its use in cell-based assays; lower concentrations must be carefully optimized to balance target inhibition against cell viability. No detailed in vivo toxicology data is available.
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| References | |
| Additional Infomation |
CS587 is a research compound used for studying the CaMK1D signaling pathway in the context of Alzheimer's disease and neurodegeneration. It was identified as a specific inhibitor that can both block CaMK1D activity and modulate cellular responses to Abeta toxicity, making it a dual-purpose tool for understanding kinase function in protein aggregation diseases.
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| Molecular Formula |
C24H30N8O
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|---|---|
| Molecular Weight |
446.548003673553
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| Exact Mass |
446.254
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| CAS # |
2388506-69-0
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| PubChem CID |
145946079
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| Appearance |
White to off-white solid powder
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
772
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C#N)C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)N3CCC[C@@H](C3)N)C(C)(C)C#N
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| InChi Key |
RJTDRNOTQRMDCY-KRWDZBQOSA-N
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| InChi Code |
InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1
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| Chemical Name |
2-[(3S)-3-aminopiperidin-1-yl]-4-[3,5-bis(2-cyanopropan-2-yl)anilino]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) |
DMSO: 100 mg/mL (223.94 mM)
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2394 mL | 11.1970 mL | 22.3939 mL | |
| 5 mM | 0.4479 mL | 2.2394 mL | 4.4788 mL | |
| 10 mM | 0.2239 mL | 1.1197 mL | 2.2394 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.
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