| Size | Price | Stock | Qty |
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| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
The primary target of PDE IV-IN-1 is phosphodiesterase 4 (PDE4), an enzyme that specifically hydrolyzes cyclic adenosine monophosphate (cAMP). By inhibiting PDE4, the compound prevents the breakdown of cAMP, leading to increased intracellular cAMP levels. This, in turn, activates protein kinase A (PKA) and modulates the activity of various transcription factors, resulting in anti-inflammatory effects. PDE4 inhibition is a validated therapeutic strategy for inflammatory respiratory diseases.
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| ln Vitro |
In vitro, PDE IV-IN-1 is a potent PDE4 inhibitor. It demonstrates anti-inflammatory activity by reducing the production of pro-inflammatory cytokines from immune cells. Its ability to elevate cAMP levels in cells is a key mechanism for its effects. The compound's activity is typically assessed using enzyme assays with purified PDE4 or cell-based assays measuring cAMP accumulation or cytokine production.
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| ln Vivo |
In vivo efficacy data for PDE IV-IN-1 are not extensively detailed. As a PDE4 inhibitor, it is expected to have potential in animal models of asthma and COPD, reducing airway inflammation and hyperresponsiveness. It could also be studied in models of depression. However, specific in vivo studies with this compound have not been widely reported. It is intended for research use only.
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| Enzyme Assay |
For PDE4 inhibition assays, the enzymatic activity of recombinant PDE4 is measured. The enzyme is incubated with varying concentrations of PDE IV-IN-1 in a reaction buffer containing cAMP. The reaction is allowed to proceed, and the amount of remaining cAMP or the product (AMP) is measured using a fluorescence-based or radiometric method. IC50 values are calculated from dose-response curves.
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| Cell Assay |
For cellular studies, immune cells (e.g., macrophages, or PBMCs) are cultured in appropriate medium. Cells are seeded in 96-well plates and treated with varying concentrations of PDE IV-IN-1 for 1-2 hours, then stimulated with LPS or other inflammatory stimuli. Cytokine production (e.g., TNF-α, IL-6) is measured by ELISA. Intracellular cAMP levels can also be measured using a competitive ELISA.
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| Animal Protocol |
For in vivo efficacy studies, animal models of asthma or COPD could be used. PDE IV-IN-1 would be formulated in vehicle and administered orally or intraperitoneally. Airway inflammation would be assessed by measuring inflammatory cells and cytokines in bronchoalveolar lavage fluid. Lung function and histopathology would also be evaluated. For pharmacokinetic studies, blood samples would be collected for compound quantification.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for PDE IV-IN-1 are not extensively reported. As a small molecule, it is expected to have moderate oral bioavailability. Its metabolism likely involves hepatic CYP450 enzymes, and it is cleared via biliary and renal excretion. A comprehensive PK study would be needed to determine its half-life, Cmax, and AUC for any potential therapeutic development.
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| Toxicity/Toxicokinetics |
Toxicological data for PDE IV-IN-1 are limited. As a research compound, no acute toxicity, organ-specific toxicity, or mutagenicity data have been reported. As with all research chemicals, appropriate safety precautions, including the use of personal protective equipment, should be taken during handling.
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| Additional Infomation |
PDE IV-IN-1 (CAS 225100-12-9) is a potent PDE4 inhibitor with anti-inflammatory activity. It is used for research into asthma, COPD, and other inflammatory diseases, and is a potential compound for the study of depression. Its molecular formula is C₂₀H₂₃ClN₄O₂, and its molecular weight is 386.88. It is strictly for research use.
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| Molecular Formula |
C20H23CLN4O2
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|---|---|
| Molecular Weight |
386.875223398209
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| Exact Mass |
386.15
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| CAS # |
225100-12-9
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| PubChem CID |
9886510
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
4.6
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| Hydrogen Bond Donor Count |
0
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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 |
493
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C2C(=NC(=N1)Cl)N(C(=N2)C)CC3=CC(=C(C=C3)OC)OC4CCCC4
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| InChi Key |
BVRVGGHTZPRZDK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H23ClN4O2/c1-12-18-19(24-20(21)22-12)25(13(2)23-18)11-14-8-9-16(26-3)17(10-14)27-15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3
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| Chemical Name |
2-chloro-9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethylpurine
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5848 mL | 12.9239 mL | 25.8478 mL | |
| 5 mM | 0.5170 mL | 2.5848 mL | 5.1696 mL | |
| 10 mM | 0.2585 mL | 1.2924 mL | 2.5848 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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