| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
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| Other Sizes |
| Targets |
Phosphodiesterase 12 (PDE12). pIC50 = 9.1 (enzyme inhibition).
|
|---|---|
| ln Vitro |
PDE12-IN-1 has a pIC50 of 6.7 and reduces the cytopathic effect of EMCV in HeLa Ohio cells. PDE12-IN-1 suppresses the proliferation of HeLa Ohio cells with a pIC50 of 5.7 in the absence of EMCV infection. It also inhibits the proliferation of HeLa and HeLaΔPDE12 cells with a pIC50 of 5.7. Finally, PDE12-IN-1 inhibits HRV infection with a pIC50 of 6.9[1].
Increases 2‘,5'-linked adenylate polymer (2-5A) levels with pEC50 = 7.7. Mitigates EMCV-induced cytopathic effect in HeLa Ohio cells (pIC50 = 6.7). Also suppresses HeLa and HeLadeltaPDE12 cell proliferation (pIC50 = 5.7). Shows antiviral activity against HRV (pIC50 = 6.9). |
| ln Vivo |
Specific in vivo activity data not detailed in standard references; PDE12 modulation in vivo would affect 2-5A levels and antiviral responses via RNase L pathways, but quantitative data for this compound in animal models is currently not available in public literature.
|
| Enzyme Assay |
PDE12 enzyme inhibition assay: Recombinant PDE12 incubated with fluorescent cAMP analog substrate; enzyme activity measured by fluorescence polarization or HTRF after compound treatment. pIC50 calculated from concentration-response curve.
|
| Cell Assay |
HeLa Ohio cells infected with EMCV, treated with PDE12-IN-1 for 48h; cytopathic effect (CPE) reduction measured by cell viability assay (e.g., MTT). Antiviral potency expressed as pIC50. Parallel experiments in uninfected cells determine direct anti-proliferative effects.
|
| Animal Protocol |
In vivo animal protocols for this specific compound are not described in the available literature; as a research tool, it would likely be administered intraperitoneally or orally in mouse models of viral infection to assess in vivo antiviral efficacy.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for PDE12-IN-1 not detailed in standard references; molecular weight 616.48; predicted high lipophilicity (cLogP ~5.5) suggesting low aqueous solubility. Bioavailability and half-life in vivo remain to be characterized.
|
| Toxicity/Toxicokinetics |
No detailed toxicity data in public literature; general safety concerns are typical for research compounds. TFA salt may cause irritation; standard laboratory precautions should be followed. Aquatic toxicity may be a concern (typical for heterocyclic compounds).
|
| References | |
| Additional Infomation |
PDE12 is a key regulator of 2-5A levels and RNase L activation, critical in antiviral innate immunity. PDE12-IN-1 serves as a chemical probe to study this pathway. No clinical trials reported; currently for research use only. Potential applications include antiviral drug development and immune modulation research.
|
| Molecular Formula |
C31H27BRFN5O3
|
|---|---|
| Molecular Weight |
616.48
|
| Exact Mass |
615.128
|
| CAS # |
2259620-80-7
|
| PubChem CID |
146047124
|
| Appearance |
White to light yellow solid powder
|
| LogP |
4
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
41
|
| Complexity |
990
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
FC1C=CC([C@@H]2OCCN(C(=O)C3C(=CC4=C(C=3)N(C(C3C5=C(C=C(C=C5)C#N)N(CC)C=3)=N4)C)Br)[C@H]2CO)=CC=1
|
| InChi Key |
YWMAQKQMUXYMAZ-FQLXRVMXSA-N
|
| InChi Code |
InChI=1S/C31H27BrFN5O3/c1-3-37-16-23(21-9-4-18(15-34)12-26(21)37)30-35-25-14-24(32)22(13-27(25)36(30)2)31(40)38-10-11-41-29(28(38)17-39)19-5-7-20(33)8-6-19/h4-9,12-14,16,28-29,39H,3,10-11,17H2,1-2H3/t28-,29-/m1/s1
|
| Chemical Name |
3-[5-bromo-6-[(2R,3R)-2-(4-fluorophenyl)-3-(hydroxymethyl)morpholine-4-carbonyl]-1-methylbenzimidazol-2-yl]-1-ethylindole-6-carbonitrile
|
| Synonyms |
PDE12IN1; PDE12 IN 1
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~90 mg/mL (~145.99 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.75 mg/mL (7.71 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 47.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 2: ≥ 4.5 mg/mL (7.30 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 45.0 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. View More
Solubility in Formulation 3: 4.5 mg/mL (7.30 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6221 mL | 8.1106 mL | 16.2211 mL | |
| 5 mM | 0.3244 mL | 1.6221 mL | 3.2442 mL | |
| 10 mM | 0.1622 mL | 0.8111 mL | 1.6221 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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