| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Cysteine proteases (broad class)
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|---|---|
| ln Vitro |
This compound functions as an inhibitor of cysteine proteases. It is widely used in research to study protease-mediated processes such as protein degradation, apoptosis, inflammation, and pathogen replication. By blocking cysteine protease activity, it can modulate cellular signaling and prevent unwanted proteolysis.
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| ln Vivo |
Currently, no specific in vivo data is available for this compound. General in vivo information for similar broad-spectrum protease inhibitors may include their ability to reduce inflammation, prevent tissue damage, or block parasite replication in animal models.
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| Enzyme Assay |
A generic enzyme inhibition assay for cysteine proteases uses a fluorogenic substrate like Z-Phe-Arg-AMC (for cathepsins) or Ac-DEVD-AMC (for caspases). The compound is pre-incubated with the enzyme in an activation buffer (e.g., 100 mM sodium acetate, pH 5.5, 5 mM DTT) at 37degC for 5-10 minutes. Substrate is added, and fluorescence is measured (Ex/Em=380/460 nm).
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| Cell Assay |
General cellular protocols for studying cysteine protease inhibitors use cell lines relevant to the disease (e.g., cancer cells for apoptosis, macrophages for inflammation). Cells are treated with the compound for 24-48 hours. Cell viability (MTT assay), apoptosis markers (caspase activation, PARP cleavage), and inflammatory cytokine secretion (IL-1beta, IL-18) are measured.
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| Animal Protocol |
General in vivo procedures involve using a mouse model of LPS-induced septic shock. The compound is administered intraperitoneally 30 minutes before and 6 hours after LPS injection. Blood and tissue samples are collected to measure cytokine levels and markers of cell death. Survival rates are monitored over 24-72 hours.
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| ADME/Pharmacokinetics |
The hydrochloride salt form is likely used to improve water solubility. As a cysteine protease inhibitor, it is expected to be cell-permeable. General PK data for similar small molecules may include moderate oral bioavailability and a short to moderate half-life. Detailed PK parameters are not available for this specific compound.
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| Toxicity/Toxicokinetics |
Toxicity information for this specific compound is not available. As with many protease inhibitors, off-target effects are possible, and high doses may cause cellular toxicity by blocking essential proteases. Safety data is typically generated in preclinical studies (e.g., acute and repeated-dose toxicity in rodents).
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| Additional Infomation |
This compound is a broad-spectrum cysteine protease inhibitor. It is a research tool used to study a wide range of biological processes, including apoptosis, inflammation, and cancer cell invasion. It is also used to explore therapeutic targets in diseases like cancer, neurodegeneration, and infectious disorders. It is not an approved drug.
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| Molecular Formula |
C18H15CLN4O
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|---|---|
| Molecular Weight |
338.7909
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| Exact Mass |
338.093
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| CAS # |
2197053-49-7
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| Related CAS # |
Cysteine Protease inhibitor;921625-62-9
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| PubChem CID |
78357826
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| Appearance |
White to off-white solid powder
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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 |
4
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| Heavy Atom Count |
24
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].O(C1C([H])=C([H])N=C(C#N)N=1)C1=C([H])C([H])=C([H])C(=C1[H])C1C([H])=C([H])C(C([H])([H])N([H])[H])=C([H])C=1[H]
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| InChi Key |
SOZJROVPTNXLPB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H14N4O.ClH/c19-11-13-4-6-14(7-5-13)15-2-1-3-16(10-15)23-18-8-9-21-17(12-20)22-18;/h1-10H,11,19H2;1H
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| Chemical Name |
4-[3-[4-(aminomethyl)phenyl]phenoxy]pyrimidine-2-carbonitrile;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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: 50 mg/mL (147.58 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.38 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 (7.38 mM) (saturation unknown) 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. 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 (7.38 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9517 mL | 14.7584 mL | 29.5168 mL | |
| 5 mM | 0.5903 mL | 2.9517 mL | 5.9034 mL | |
| 10 mM | 0.2952 mL | 1.4758 mL | 2.9517 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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