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| 5mg |
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| 10mg |
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| Targets |
This compound targets cysteine proteases, a family of proteolytic enzymes that include cathepsins, caspases, and calpains. Cysteine proteases play critical roles in various physiological and pathological processes, including protein turnover, immune response, apoptosis, and cancer progression. The inhibitor blocks the enzymatic activity of cysteine proteases by interacting with the active-site cysteine residue.
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| ln Vitro |
In vitro activity of the Cysteine Protease inhibitor is characterized by its ability to inhibit cysteine protease enzymatic activity. The compound is used in biochemical assays to measure protease inhibition, typically using fluorogenic or chromogenic peptide substrates. Inhibition is quantified by determining the IC50 value, which represents the concentration required to reduce enzyme activity by 50%.
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| ln Vivo |
In vivo activity data for the Cysteine Protease inhibitor are not extensively reported in the available literature. As a research tool, its primary application is in in vitro biochemical and cellular studies to investigate cysteine protease function. The compound is not approved for clinical use and is primarily used in basic research settings.
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| Enzyme Assay |
In vitro enzyme inhibition assays for the Cysteine Protease inhibitor are performed using purified cysteine protease enzymes. The enzyme is incubated with a fluorogenic or chromogenic peptide substrate in the presence of increasing concentrations of the inhibitor. The rate of substrate cleavage is measured spectrophotometrically or fluorometrically, and the IC50 is calculated from the inhibition curve. These cell-free assays provide quantitative data on the compound's potency.
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| Cell Assay |
In vitro cellular assays for the Cysteine Protease inhibitor are performed using cell lines expressing cysteine proteases. Cells are treated with the compound, and protease activity is assessed using activity-based probes or by measuring the cleavage of specific substrates. Cellular effects of cysteine protease inhibition, such as changes in protein degradation, apoptosis, or inflammatory responses, are also evaluated.
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| Animal Protocol |
In vivo animal experimental protocols for the Cysteine Protease inhibitor are not extensively documented in the available literature. As a research compound primarily used for in vitro studies, detailed in vivo protocols have not been established. For potential in vivo applications, the compound would need to be formulated appropriately and evaluated in disease models where cysteine proteases play a pathogenic role.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of the Cysteine Protease inhibitor have not been systematically characterized. The compound has a molecular weight of 302.33 and molecular formula C18H14N4O. It is soluble in DMSO. Further PK studies are needed to determine its absorption, distribution, metabolism, and excretion profile in vivo.
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| Toxicity/Toxicokinetics |
Toxicological data for the Cysteine Protease inhibitor are not extensively reported. As a research-use compound, its safety profile has not been formally evaluated in preclinical toxicology studies. The compound is intended for research purposes only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| Additional Infomation |
According to reports, 4-((4'-(aminomethyl)-[1,1'-biphenyl]-3-yl)oxy)pyrimidine-2-nitrile has been found in apple (Malus pumila) and domestic apple (Malus domestica), and relevant data are available.
Cysteine Protease inhibitor is a research compound with CAS number 921625-62-9, molecular formula C18H14N4O, and molecular weight 302.33. It is also known as 4-((4'-(aminomethyl)-[1,1'-biphenyl]-3-yl)oxy)pyrimidine-2-carbonitrile. The compound is classified as a metabolic enzyme inhibitor and is used as a research tool to study cysteine protease function. This product is for research use only. |
| Molecular Formula |
C18H14N4O
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|---|---|
| Molecular Weight |
302.3300
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| Exact Mass |
302.117
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| CAS # |
921625-62-9
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| Related CAS # |
Cysteine Protease inhibitor hydrochloride;2197053-49-7
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| PubChem CID |
12000657
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| Appearance |
White to off-white solid powder
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| Density |
1.30±0.1 g/cm3 (20 °C, 760 mmHg)
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| Boiling Point |
540.9±60.0 °C (760 mmHg)
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| LogP |
3.966
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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 |
4
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| Heavy Atom Count |
23
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC(=C1)OC2=NC(=NC=C2)C#N)C3=CC=C(C=C3)CN
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| InChi Key |
RMVQVAZRAZGSTH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H14N4O/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
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| Chemical Name |
4-[3-[4-(aminomethyl)phenyl]phenoxy]pyrimidine-2-carbonitrile
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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 : ~50 mg/mL (~165.38 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.27 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 (8.27 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 (8.27 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 | 3.3076 mL | 16.5382 mL | 33.0764 mL | |
| 5 mM | 0.6615 mL | 3.3076 mL | 6.6153 mL | |
| 10 mM | 0.3308 mL | 1.6538 mL | 3.3076 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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