| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
ZINC00881524 targets ROCK1 and ROCK2, two serine/threonine kinases that are downstream effectors of the small GTPase RhoA. The ROCK pathway plays a crucial role in various cellular functions, including cytoskeletal dynamics, cell contraction, and gene expression. Inhibition of the ROCK pathway is believed to contribute to some of the cardiovascular benefits of statin therapy.
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| ln Vitro |
In vitro, ZINC00881524 selectively inhibits ROCK activity. By inhibiting ROCK, it can modulate cellular processes such as vascular smooth muscle contraction and cell migration. The compound's potency and selectivity are confirmed in kinase assays. It decreases levels of ROCK1 in T47D and CAMA-1 breast cancer cells.
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| ln Vivo |
In vivo, inhibition of the ROCK pathway by compounds like ZINC00881524 is believed to contribute to some of the cardiovascular benefits of statin therapy that are independent of lipid lowering (pleiotropic effects). This suggests potential in vivo activity in models of cardiovascular disease.
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| Enzyme Assay |
In vitro kinase assays are performed using purified ROCK1 or ROCK2 enzymes. The compound is incubated with the kinase and a substrate, and the degree of phosphorylation is measured to determine the IC50 for inhibition.
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| Cell Assay |
Cells are treated with ZINC00881524, and its effect on ROCK-mediated signaling is measured. This can include assessing the phosphorylation of downstream targets, such as myosin light chain (MLC), or evaluating cell morphology and migration.
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| Animal Protocol |
The in vivo activity of ZINC00881524 could be evaluated in animal models of cardiovascular disease, such as hypertension or restenosis. The compound's effect on blood pressure or vascular remodeling would be measured.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of ZINC00881524 would be studied in preclinical species. Parameters such as oral bioavailability, half-life, and clearance are important for understanding its systemic exposure and guiding in vivo studies.
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| Toxicity/Toxicokinetics |
Toxicology studies would assess the safety profile of ZINC00881524. As a kinase inhibitor, its potential for off-target effects and associated toxicities would be evaluated.
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| Additional Infomation |
ZINC00881524 is a research tool for studying the ROCK signaling pathway. It is used to investigate the role of ROCK in various physiological and pathological processes, including cardiovascular function and cancer. It is a potent and selective ROCK inhibitor.
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| Molecular Formula |
C21H20N2O3S
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|---|---|---|
| Molecular Weight |
380.4601
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| Exact Mass |
380.119
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| CAS # |
557782-81-7
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| Related CAS # |
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| PubChem CID |
1138914
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
520
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C(N([H])C(C([H])([H])C2C([H])=C([H])C(=C(C=2[H])OC([H])([H])[H])OC([H])([H])[H])=O)=NC2C3=C([H])C([H])=C([H])C([H])=C3C([H])([H])C([H])([H])C1=2
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| InChi Key |
DQNMDJGZWFZNHS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H20N2O3S/c1-25-16-9-7-13(11-17(16)26-2)12-19(24)22-21-23-20-15-6-4-3-5-14(15)8-10-18(20)27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,23,24)
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| Chemical Name |
N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
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| Synonyms |
ZINC00881524; ZINC-00881524; ZINC 00881524.
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.57 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (6.57 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. 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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: 2.5 mg/mL (6.57 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. Solubility in Formulation 4: 2% DMSO +30%PEG 300 +5% Tween 80 +ddH2O: 5mg/mL |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6284 mL | 13.1420 mL | 26.2840 mL | |
| 5 mM | 0.5257 mL | 2.6284 mL | 5.2568 mL | |
| 10 mM | 0.2628 mL | 1.3142 mL | 2.6284 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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