| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg | |||
| 100mg | |||
| Other Sizes |
| Targets |
ROCK1 (IC50 = 34 μM); ROCK2 (IC50 = 8 μM)
RKI-1313 targets Rho-associated kinase 1 (ROCK1) and ROCK2, which are serine/threonine kinases involved in the regulation of the actin cytoskeleton, cell migration, and proliferation. As a ROCK inhibitor, it blocks ROCK-mediated signaling. However, its IC50 values (34 and 8 µM) are relatively high, and it shows little effect on ROCK substrate phosphorylation, migration, invasion, or anchorage-independent growth, making it suitable as a negative control. |
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| ln Vitro |
In vitro, RKI-1313 inhibits ROCK1 and ROCK2 with IC50 values of 34 µM and 8 µM, respectively. It shows little effect on the phosphorylation levels of ROCK substrates, migration, invasion, or anchorage-independent growth. It is used as a negative control for the ROCK inhibitor RKI-1447. Its activity is confirmed in kinase assays using purified ROCK proteins.
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| ln Vivo |
In vivo, RKI-1313 has been used as a negative control compound in studies of ROCK inhibition. Its in vivo effects are limited due to its weak activity as a ROCK inhibitor. It does not significantly affect ROCK-dependent processes such as migration or invasion. It is primarily a research tool.
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| Enzyme Assay |
Cell-free assays for RKI-1313 are kinase activity assays using purified ROCK1 or ROCK2 proteins. The kinase is incubated with a peptide substrate and ATP in the presence of varying concentrations of RKI-1313, and the extent of substrate phosphorylation is measured. The IC50 for inhibition of ROCK1 and ROCK2 activity is determined. Its molecular weight (340.4) and formula (C17H16N4O2S) are confirmed by mass spectrometry.
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| Cell Assay |
Cellular assays for RKI-1313 are performed using cancer cell lines to assess its effects on ROCK signaling. Cells are treated with varying concentrations of RKI-1313, and ROCK substrate phosphorylation is assessed by Western blotting. Cell migration and invasion are measured using transwell assays. Anchorage-independent growth is assessed by colony formation in soft agar.
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| Animal Protocol |
In vivo animal experiments for RKI-1313 are not extensively documented. As a negative control compound, it may be used in studies of ROCK inhibition to compare the effects of active ROCK inhibitors. Its weak activity makes it unlikely to produce significant in vivo effects. Detailed protocols are not available.
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| ADME/Pharmacokinetics |
RKI-1313 has a molecular weight of 340.4 g/mol and a molecular formula of C17H16N4O2S. It is soluble in DMF and DMSO at 30 mg/mL. It has a purity of ≥98%. The powder is stable for 3 years at -20°C and 6 months in solvent at -80°C. It should be stored under recommended conditions.
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| Toxicity/Toxicokinetics |
The toxicological profile of RKI-1313 has not been extensively characterized. As a research compound, it is generally considered safe at the concentrations used in studies. No significant toxicity has been reported. Comprehensive toxicology studies are lacking. It is not an approved drug and is intended for research use only.
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| References | |
| Additional Infomation |
RKI-1313 is a ROCK inhibitor used as a negative control for the ROCK inhibitor RKI-1447. It has IC50 values of 34 and 8 µM for ROCK1 and ROCK2, respectively. It shows little effect on ROCK substrate phosphorylation, migration, invasion, or anchorage-independent growth. It is a research compound and is not approved for clinical use.
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| Molecular Formula |
C17H16N4O2S
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|---|---|
| Molecular Weight |
340.401
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| Exact Mass |
340.099
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| Elemental Analysis |
C, 59.98; H, 4.74; N, 16.46; O, 9.40; S, 9.42
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| CAS # |
1342276-76-9
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| Related CAS # |
1342276-76-9
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| PubChem CID |
53492330
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.655
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| LogP |
2.08
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
24
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| Complexity |
406
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC1=NC(C2=CC=NC=C2)=CS1)NCC3=CC=CC(OC)=C3
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| InChi Key |
BDCUKYUIVYKXCQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H16N4O2S/c1-23-14-4-2-3-12(9-14)10-19-16(22)21-17-20-15(11-24-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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| Chemical Name |
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
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| Synonyms |
RKI1313; RKI 1313; RKI-1313
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9377 mL | 14.6886 mL | 29.3772 mL | |
| 5 mM | 0.5875 mL | 2.9377 mL | 5.8754 mL | |
| 10 mM | 0.2938 mL | 1.4689 mL | 2.9377 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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