| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
PDE12-IN-3 targets phosphodiesterase 12 (PDE12), an enzyme that hydrolyzes 2',5'-oligoadenylate, a key molecule in the innate immune response. Inhibition of PDE12 enhances antiviral signaling pathways, making the compound a potential therapeutic agent for viral infections.
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|---|---|
| ln Vitro |
In vitro, PDE12-IN-3 inhibits PDE12 with a pXC₅0 of 7.68, corresponding to an IC₅0 in the low nanomolar range. The compound has demonstrated antiviral activity in cell-based assays. Specific viral targets and EC₅0 values are described in the primary literature.
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| ln Vivo |
In vivo data for PDE12-IN-3 are limited. As a PDE12 inhibitor with antiviral activity, the compound is expected to enhance innate immune responses and inhibit viral replication in preclinical models. Further in vivo efficacy studies are needed.
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| Enzyme Assay |
For in vitro enzyme binding assays, PDE12-IN-3 is evaluated using recombinant PDE12 enzyme in phosphodiesterase activity assays. The compound is incubated with the enzyme and a substrate (e.g., 2',5'-oligoadenylate), and the hydrolysis product is measured to determine inhibitory activity. pXC₅0 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cellular assays, PDE12-IN-3 is dissolved in DMSO and applied to virus-infected cells. Antiviral activity is assessed by measuring viral replication (e.g., plaque reduction assays, viral RNA quantification) and innate immune signaling (e.g., interferon production).
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| Animal Protocol |
In vivo animal studies with PDE12-IN-3 typically involve administration in mouse models of viral infection. Viral load, immune responses, and survival are monitored. Detailed protocols are described in the primary literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for PDE12-IN-3 are limited. The compound has a molecular weight of 491.54 and molecular formula C2₉H2₅N₅O3. It should be stored as a powder at -20degC for up to 3 years. Purity is ≥98%.
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| Toxicity/Toxicokinetics |
Toxicology data for PDE12-IN-3 are limited. As a PDE12 inhibitor, the compound may modulate immune responses; careful dose optimization is required. The compound is intended for research use only and is not approved for human therapeutic applications.
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| References | |
| Additional Infomation |
PDE12-IN-3 (CAS#: 1803357-22-3) has the molecular formula C2₉H2₅N₅O3 and molecular weight 491.54. It is a phosphodiesterase 12 inhibitor with antiviral activity. The compound is supplied as a research reagent only.
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| Molecular Formula |
C29H25N5O3
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|---|---|
| Molecular Weight |
491.540506124496
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| Exact Mass |
491.195
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| CAS # |
1803357-22-3
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| PubChem CID |
138454777
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| Appearance |
White to off-white solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
37
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| Complexity |
871
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C=C(C=CC=1)C1C(CO)N(CCO1)C(C1C=C2C(N=C(C3C4=CC=C(C=C4NC=3)C#N)N2C)=CC=1)=O
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| InChi Key |
BFUYKHPXWBXKQQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H25N5O3/c1-33-25-14-20(29(36)34-11-12-37-27(26(34)17-35)19-5-3-2-4-6-19)8-10-23(25)32-28(33)22-16-31-24-13-18(15-30)7-9-21(22)24/h2-10,13-14,16,26-27,31,35H,11-12,17H2,1H3
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| Chemical Name |
3-[6-[3-(hydroxymethyl)-2-phenylmorpholine-4-carbonyl]-1-methylbenzimidazol-2-yl]-1H-indole-6-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 : ~80 mg/mL (~162.75 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (4.07 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 20.0 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 mg/mL (4.07 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 20.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0344 mL | 10.1721 mL | 20.3442 mL | |
| 5 mM | 0.4069 mL | 2.0344 mL | 4.0688 mL | |
| 10 mM | 0.2034 mL | 1.0172 mL | 2.0344 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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