| 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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| References | |
| 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) |
DMSO: ~2.5 mg/mL (~7.0 mM; with ultrasonication and warming by heating to 60°C)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.25 mg/mL (0.69 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (2.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 0.25 mg/mL (0.69 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (2.5 mg/mL) to 900 μL of corn oil and mix well. (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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