| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
PDE11-IN-1 targets phosphodiesterase 11 (PDE11), which catalyzes the hydrolysis of cyclic nucleotides (cAMP and cGMP) to inactive 5‘-monophosphates. PDE11 is highly expressed in the adrenal cortex and testes. By inhibiting PDE11, it elevates intracellular cAMP/cGMP levels, modulating steroidogenesis and other signaling pathways.
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| ln Vitro |
In cell-free enzyme activity assays using purified recombinant human PDE11, PDE11-IN-1 shows potent inhibitory activity (IC50 not specified). It is selective for PDE11 over other PDE family members (e.g., PDE1-10), making it a valuable tool for studying the specific biological functions of PDE11 without off-target effects.
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| ln Vivo |
In vivo activity data are limited. PDE11-IN-1 can be used for adrenal insufficiency research. By modulating PDE11 activity in the adrenal gland, it may affect corticosteroid production and could be a therapeutic strategy for conditions related to altered cyclic nucleotide signaling, including certain neurological disorders, cancer, and metabolic diseases.
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| Enzyme Assay |
The cell-free PDE11 enzyme inhibition assay is performed using purified recombinant human PDE11 enzyme. Varying concentrations of PDE11-IN-1 (0.1 nM-100 uM) are incubated with the enzyme and a fluorescent or radioactive cAMP substrate in reaction buffer at 37degC for 30-60 min. The reaction is terminated, and the product is detected by a luminescence or fluorescence-based assay (e.g., PDE-Glo). IC50 is calculated from dose-response curves.
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| Cell Assay |
Adrenal cortical cells (e.g., Y1 mouse adrenal cells or NCI-H295R human adrenal cells) are seeded in 96-well plates. Cells are treated with PDE11-IN-1 (1 nM-10 uM) for 30-60 min and then stimulated with ACTH or forskolin. Intracellular cAMP levels are measured by ELISA or a cAMP-Glo assay. Corticosterone or cortisol production is measured by ELISA. Cell viability is assessed by MTT.
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| Animal Protocol |
In rodent models of adrenal insufficiency, PDE11-IN-1 may be administered via intraperitoneal or intravenous injection. Doses and schedules need to be optimized. Blood samples are collected for measuring corticosteroid levels (cortisol, corticosterone) by ELISA or LC-MS. Adrenal glands are collected for cAMP measurement and histology.
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| ADME/Pharmacokinetics |
PK data are limited. Molecular weight: 359.79; formula: C16H10ClN3O3S. Solubility: DMSO (25 mg/mL, 69.48 mM). Storage: powder at -20degC for 3 years; in solvent at -80degC for 6 months. For in vivo studies, DMSO:PEG300:Tween80:saline formulations may be used.
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| Toxicity/Toxicokinetics |
Standard safety precautions for research chemicals apply. PDE11-IN-1 is for research use only, not for human therapy. Avoid inhalation and contact. Use personal protective equipment and work in a well-ventilated area.
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| Additional Infomation |
This is a research-grade PDE11 inhibitor, not an approved drug. It is used to study the role of PDE11 in adrenal insufficiency, steroidogenesis, and cyclic nucleotide signaling. Also known as 3-(3-chlorophenyl)-8-methoxy-2H-chromen-2-one. Purity: ≥98%.
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| Molecular Formula |
C16H10CLN3O3S
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|---|---|
| Molecular Weight |
359.79
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| Exact Mass |
359.013
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| CAS # |
522652-41-1
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| PubChem CID |
1213295
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
24
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| Complexity |
587
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC2=C(C=C1)N3C(=NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)S2
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| InChi Key |
WZXVKFIBUSGTCO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H10ClN3O3S/c1-23-11-5-6-12-13(8-11)24-15-18-14(21)19(16(22)20(12)15)10-4-2-3-9(17)7-10/h2-8H,1H3
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| Chemical Name |
3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
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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 | 2.7794 mL | 13.8970 mL | 27.7940 mL | |
| 5 mM | 0.5559 mL | 2.7794 mL | 5.5588 mL | |
| 10 mM | 0.2779 mL | 1.3897 mL | 2.7794 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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