| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
CaMKII-IN-1 targets CaMKII (both α and β isoforms) with an IC50 of 63 nM. It exhibits significantly high selectivity (>100-fold) for CaMKII over CaMKIV, myosin light-chain kinase (MLCK), p38α, Akt1, and protein kinase C (PKC).
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| ln Vitro |
CaMKII-IN-1 inhibits CaMKII with an IC50 of 63 nM (0.063 µM). It shows >100-fold selectivity for CaMKII over related kinases including CaMKIV (IC50 > 60 µM), MLCK (IC50 = 36 µM), p38α (IC50 = 11 µM), Akt1 (IC50 = 30 µM), and PKC (IC50 = 21 µM). This high selectivity makes it a valuable tool for studying CaMKII-specific functions.
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| ln Vivo |
In vivo activity data for CaMKII-IN-1 are limited. The compound's high potency and selectivity for CaMKII suggest potential utility in animal models of neurological and cardiovascular diseases where CaMKII is implicated, including Alzheimer's disease, cardiac hypertrophy, and arrhythmias. Further in vivo characterization is needed to evaluate efficacy and pharmacokinetic properties.
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| Enzyme Assay |
Cell-free kinase assays for CaMKII-IN-1 utilize purified recombinant CaMKII enzyme and a suitable peptide substrate (e.g., syntide-2). The kinase reaction is performed in the presence of Ca2+/calmodulin, ATP, and increasing concentrations of the compound. Phosphorylation of the substrate is quantified using radiometric (33P-ATP) or fluorescence-based detection methods. IC50 values are determined from concentration-response curves. Selectivity is assessed by screening against a panel of related kinases.
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| Cell Assay |
Cells expressing CaMKII (e.g., primary neurons, cardiomyocytes, or HEK293 cells transfected with CaMKII) are treated with CaMKII-IN-1 at various concentrations (typically 0.01–10 µM). CaMKII autophosphorylation (at Thr286) and phosphorylation of downstream substrates are assessed by Western blot using phospho-specific antibodies. Functional assays such as long-term potentiation in hippocampal slices or calcium handling in cardiomyocytes can be performed.
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| Animal Protocol |
In vivo animal studies for CaMKII-IN-1 would typically involve administration via intraperitoneal, oral, or intracerebroventricular routes in rodent models. Target engagement can be assessed by measuring CaMKII autophosphorylation in brain or cardiac tissue. Behavioral assays (e.g., Morris water maze for learning and memory) or cardiac function assessments (echocardiography, ECG) could be performed to evaluate efficacy in disease models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CaMKII-IN-1 have not been comprehensively reported. As a small molecule (MW 548.1, formula C29H30ClN5O2S) with moderate lipophilicity (LogP ~6.6), it is expected to have reasonable membrane permeability and potential for central nervous system penetration. The compound is soluble in DMSO. Detailed PK parameters remain to be determined.
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| Toxicity/Toxicokinetics |
Toxicity data for CaMKII-IN-1 are limited. As a potent kinase inhibitor, standard toxicological assessments would be required for development. The compound's selectivity for CaMKII over other kinases suggests a favorable off-target profile. However, given the critical roles of CaMKII in cardiac function and synaptic plasticity, on-target toxicity in heart and brain could be a concern at high doses.
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| References |
Bioorg Med Chem Lett.2010 Nov 15;20(22):6696-8.
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| Additional Infomation |
CaMKII-IN-1 (molecular formula C29H30ClN5O2S, MW 548.1) is a 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine analog. It is a potent and highly selective tool compound for studying CaMKII function in various biological contexts. The compound is intended for research use only and is not approved for therapeutic use.
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| Molecular Formula |
C29H30CLN5O2S
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|---|---|
| Molecular Weight |
548.0988
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| Exact Mass |
547.181
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| CAS # |
1208123-85-6
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| PubChem CID |
50898538
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
728.2±70.0 °C at 760 mmHg
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| Flash Point |
394.2±35.7 °C
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| Vapour Pressure |
0.0±2.4 mmHg at 25°C
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| Index of Refraction |
1.670
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| LogP |
5.48
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
38
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| Complexity |
829
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=NC3=C2CN(CC3)CC4=CC=CC=C4)NCCC5=CC=CC=C5
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| InChi Key |
LGUUETDTMQTHML-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
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| Chemical Name |
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chloro-2-methylbenzenesulfonamide
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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 : ≥ 54 mg/mL (~98.52 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 | 1.8245 mL | 9.1224 mL | 18.2448 mL | |
| 5 mM | 0.3649 mL | 1.8245 mL | 3.6490 mL | |
| 10 mM | 0.1824 mL | 0.9122 mL | 1.8245 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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