| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
3,4-Dichloroisocoumarin targets serine proteases. It inhibits chymotrypsin-like activity. 3,4-Dichloroisocoumarin is opened by serine proteases and then undergoes acylation with the enzyme. It inhibits SrLip with a Ki of 26.6 μM.
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|---|---|
| ln Vitro |
3,4-Dichloroisocoumarin demonstrates potent in vitro inhibition of a wide range of serine proteases. It completely inhibits the activity of 24 serine proteases including human leukocyte elastase, thrombin, plasmin, Factor Xa, and Factor XIIa.
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| ln Vivo |
In vivo activity data for 3,4-Dichloroisocoumarin are not extensively documented. As a potent serine protease inhibitor, it has potential in vivo applications in research on thrombosis, inflammation, and other protease-related conditions. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme assay for 3,4-Dichloroisocoumarin involves measuring its inhibition of serine protease activity. The assay typically uses a chromogenic or fluorogenic substrate. 3,4-Dichloroisocoumarin is incubated with the enzyme and substrate at various concentrations. The IC50 or Ki value is determined by fitting the inhibition data to a dose-response curve.
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| Cell Assay |
In vitro cellular assays for 3,4-Dichloroisocoumarin typically use cell lines to assess its effects on protease activity. Cells are treated with the compound at various concentrations. Protease activity in cell lysates or conditioned medium is measured.
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| Animal Protocol |
In vivo animal experiments for 3,4-Dichloroisocoumarin are not extensively documented. As a serine protease inhibitor, standard in vivo studies would involve animal models of thrombosis, inflammation, or cancer. The compound would be administered via intraperitoneal or oral routes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3,4-Dichloroisocoumarin are not extensively documented. As a small molecule, the compound is expected to have reasonable bioavailability. Its isocoumarin structure may influence its absorption, distribution, metabolism, and excretion.
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| Toxicity/Toxicokinetics |
Toxicological data for 3,4-Dichloroisocoumarin are not extensively available in the public domain. As a research compound, it has not undergone extensive toxicological evaluation. Standard cytotoxicity assays in cell lines may have been performed to assess safety margins.
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| References | |
| Additional Infomation |
3,4-Dichloroisocoumarin is a type of isocoumarin compound with chlorine atoms substituted at the 3 and 4 positions. It is a serine protease inhibitor with anti-aging and serine protease-inhibiting effects. It is both an isocoumarin compound and an organochlorine compound.
3,4-Dichloroisocoumarin (3,4-DCI) is a potent serine protease inhibitor. It inhibits 24 serine proteases including human leukocyte elastase, thrombin, and plasmin. The compound has a molecular formula of C9H4Cl2O2. No clinical trials or regulatory approvals have been reported. |
| Molecular Formula |
C9H4CL2O2
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|---|---|
| Molecular Weight |
215.03
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| Exact Mass |
213.959
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| CAS # |
51050-59-0
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| PubChem CID |
1609
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| Appearance |
White to off-white solid powder
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| Density |
1.53 g/cm3
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| Boiling Point |
304.7ºC at 760 mmHg
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| Flash Point |
136.6ºC
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| Index of Refraction |
1.627
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| LogP |
3.099
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
13
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| Complexity |
273
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl
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| InChi Key |
SUGXUUGGLDCZKB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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| Chemical Name |
3,4-dichloroisochromen-1-one
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.6505 mL | 23.2526 mL | 46.5051 mL | |
| 5 mM | 0.9301 mL | 4.6505 mL | 9.3010 mL | |
| 10 mM | 0.4651 mL | 2.3253 mL | 4.6505 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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