| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Targets |
TC-S 7001 targets Rho-associated kinase (ROCK), specifically ROCK1 and ROCK2, which are serine/threonine kinases involved in actin cytoskeleton organization, cell contraction, and migration. By inhibiting ROCK, TC-S 7001 reduces blood pressure in normotensive and hypertensive rats and is orally active. The compound exhibits >200-fold selectivity over TRK and FLT3 receptors.
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| ln Vitro |
With IC50 values of 0.6 and 1.1 nM for human ROCK-1 and ROCK-2, respectively, BAY-549 (Azaindole 1) is a highly effective inhibitor of both enzymes. It also inhibits rat ROCK-2 or mouse ROCK-2, with IC50 values of 2.4 and 1.1 nM, respectively. 0.8 nM in that order. With IC50s of 252 and 303 nM, respectively, BAY-549 also inhibits the receptor tyrosine kinases TRK and FLT3. However, it very slightly inhibits the MLCK and ZIP kinases, with IC50s of 7.4 μM and 4.1 μM, respectively. With an IC50 value of 65 nM, BAY-549 reduces phenylephrine-induced contraction of the rabbit saphenous artery and causes vasodilation in vitro [1].
In vitro, TC-S 7001 is a potent ROCK inhibitor with IC50 values of 0.6 nM for ROCK1 and 1.1 nM for ROCK2. It also inhibits murine ROCK2 and rat ROCK2 with IC50 values of 2.4 nM and 0.8 nM, respectively. The compound exhibits >200-fold selectivity over TRK and FLT3 receptors and is orally active. |
| ln Vivo |
In anesthetized normotensive rats, BAY-549 (Azaindole 1) (0.03, 0.1, 0.3 mg/kg, iv) reduces blood pressure in a dose-dependent and long-lasting manner. In both normotensive and hypertensive rats, BAY-549 (3 and 10 mg/kg, p.o.) consistently and dose-dependently lowered blood pressure; in hypertensive rats, this effect was demonstrated even at the 1 mg/kg dose. This result. In dogs under anesthesia, intravenous boluses of BAY-549 (0.1 and 0.3 mg/kg) result in a dose-related reduction in mean arterial blood pressure and only a little, dose-independent rise in heart rate [1].
In vivo, TC-S 7001 reduces blood pressure in normotensive and hypertensive rats and is orally active. By inhibiting ROCK, the compound modulates vascular tone and has potential applications in cardiovascular diseases such as hypertension and atherosclerosis. Its oral bioavailability makes it suitable for oral administration in preclinical studies. |
| Enzyme Assay |
In vitro enzyme assays for TC-S 7001 measure its inhibition of ROCK1 and ROCK2 activity. The kinase is incubated with its substrate and ATP in the presence of varying concentrations of the compound. Kinase activity is measured by quantifying substrate phosphorylation using radioactive or fluorescence-based methods. IC50 values of 0.6 nM for ROCK1 and 1.1 nM for ROCK2 are determined.
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| Cell Assay |
In vitro cell-based assays for TC-S 7001 assess its effects on ROCK-mediated cellular processes. Cells are treated with serial dilutions of the compound, and ROCK activity is measured by assessing the phosphorylation of ROCK substrates such as myosin light chain. Cell morphology, migration, and contraction are evaluated to determine the functional consequences of ROCK inhibition.
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| Animal Protocol |
In vivo animal models for TC-S 7001 include rat models of hypertension. The compound is administered orally, and its effects on blood pressure, heart rate, and vascular function are evaluated. Pharmacodynamic studies measure ROCK inhibition and downstream signaling in target tissues. The compound's oral bioavailability has been demonstrated in these models.
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| ADME/Pharmacokinetics |
TC-S 7001 has a molecular formula of C18H13ClF2N6O and a molecular weight of 402.79 g/mol. It is also known as Azaindole-1 and BAY-549. The compound has a purity of ≥98% and is soluble in DMSO. It is stored at 2-8°C and is intended for laboratory research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of TC-S 7001 is characterized in preclinical safety studies. As a ROCK inhibitor, the compound may affect vascular function and cellular contractility. The compound is for research use only and is not approved for clinical use. Appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
TC-S 7001 (Azaindole-1; BAY-549) is a potent and highly selective ROCK inhibitor with IC50 values of 0.6 nM for ROCK1 and 1.1 nM for ROCK2. It exhibits >200-fold selectivity over TRK and FLT3 receptors and is orally active. TC-S 7001 reduces blood pressure in normotensive and hypertensive rats. It is also known as ROCK-IN-2 and is intended for laboratory research use only.
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| Molecular Formula |
C18H13CLF2N6O
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| Molecular Weight |
402.78
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| Exact Mass |
402.081
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| CAS # |
867017-68-3
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| PubChem CID |
11524200
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.61
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| LogP |
4.063
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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 |
4
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| Heavy Atom Count |
28
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| Complexity |
524
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
NRSGWEVTVGZDFC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H13ClF2N6O/c1-8-7-24-17-15(8)12(2-3-23-17)28-16-10(20)4-9(5-11(16)21)25-14-6-13(19)26-18(22)27-14/h2-7H,1H3,(H,23,24)(H3,22,25,26,27)
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| Chemical Name |
6-chloro-4-N-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]pyrimidine-2,4-diamine
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| Synonyms |
TCS 7001; TC S 7001; TC-S 7001
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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 : ~33.33 mg/mL (~82.75 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4827 mL | 12.4137 mL | 24.8274 mL | |
| 5 mM | 0.4965 mL | 2.4827 mL | 4.9655 mL | |
| 10 mM | 0.2483 mL | 1.2414 mL | 2.4827 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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