| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PDE7
The primary target of PDE7-IN-3 is the phosphodiesterase 7 (PDE7) enzyme. PDE7 is a cAMP-specific PDE, and by inhibiting it, this compound prevents the degradation of cAMP, leading to elevated levels of this key second messenger. This mechanism is believed to underlie its potential in modulating pain signaling pathways. |
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| ln Vitro |
The primary evidence for PDE7-IN-3's activity is its ability to inhibit the PDE7 enzyme. While the exact IC50 is not provided in the datasheet, it is characterized as an inhibitor of PDE7. In a cellular context, its activity is inferred from its potential to increase cAMP levels in cells of the immune and nervous systems, which is a recognized pathway for pain relief.
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| ln Vivo |
The most significant reported activity of PDE7-IN-3 is its potential analgesic activity in vivo. It is specifically indicated to be useful for studying various pain models, including inflammatory, neuropathic, visceral, and nociceptive pain. This suggests that the compound has been validated in animal models of these conditions and shows efficacy in reducing pain-related behaviors.
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| Enzyme Assay |
The protocol for a standard PDE7 inhibition assay involves using recombinant human PDE7 enzyme. In a 96-well plate, the enzyme is mixed with varying concentrations of PDE7-IN-3 in an assay buffer containing 50 mM HEPES, 5 mM MgCl2, and 0.5% BSA. The reaction is started by adding 3H-cAMP. After 20 minutes at 30degC, the reaction is stopped, and the amount of product (3H-5'-AMP) is quantified using a scintillation proximity assay (SPA) to determine the IC50.
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| Cell Assay |
No specific cell-based protocol for PDE7-IN-3 is described. To study its mechanism, a standard cellular assay could be performed using a cell line like Jurkat T-cells, which express PDE7. The cells are treated with the compound, and then the intracellular cAMP concentration is measured using a competitive immunoassay. An increase in cAMP would confirm target engagement.
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| Animal Protocol |
A typical in vivo protocol for testing analgesic activity is the formalin-induced paw licking test in rodents. Male CD-1 mice are administered PDE7-IN-3 (e.g., 10 mg/kg, i.p.) 30 minutes before an intraplantar injection of 2% formalin (20 uL) into the hind paw. The time spent licking the injected paw is recorded during the early phase (0-5 min; neurogenic pain) and late phase (15-30 min; inflammatory pain) to assess antinociceptive effects.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data for PDE7-IN-3 is not provided in this reference. For a compound to be active in pain models following intraperitoneal (i.p.) administration, it must be absorbed into the systemic circulation and distribute to the spinal cord and brain. Further studies would be needed to determine its half-life, oral bioavailability, and brain penetration.
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| Toxicity/Toxicokinetics |
No specific toxicological data is provided. In the standard in vivo pain models, the compound is typically administered at a dose range that does not cause motor impairment or sedation, which are often monitored to ensure the observed analgesia is not due to general CNS depression. Its safety profile would be established in separate studies.
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| References | |
| Additional Infomation |
PDE7-IN-3 is a significant research tool because it is one of the few selective inhibitors of PDE7. The PDE7 family, consisting of PDE7A and PDE7B, is a relatively understudied phosphodiesterase compared to PDE4 or PDE5. Its analgesic potential represents an important area of research, as it could offer a novel mechanism for pain relief that is distinct from current treatments like opioids or NSAIDs.
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| Molecular Formula |
C18H21CLN2O4
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|---|---|
| Molecular Weight |
364.823343992233
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| Exact Mass |
364.118
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| CAS # |
908570-13-8
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| PubChem CID |
11508847
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| Appearance |
White to off-white solid powder
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
25
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| Complexity |
545
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CC=C(C2=C1NC(NC12CCCCC1)=O)OC1CC(C(=O)O)C1
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| InChi Key |
PFDYHSOOBQTYLZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H21ClN2O4/c19-12-4-5-13(25-11-8-10(9-11)16(22)23)14-15(12)20-17(24)21-18(14)6-2-1-3-7-18/h4-5,10-11H,1-3,6-9H2,(H,22,23)(H2,20,21,24)
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| Chemical Name |
3-(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxycyclobutane-1-carboxylic acid
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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 | 2.7411 mL | 13.7054 mL | 27.4108 mL | |
| 5 mM | 0.5482 mL | 2.7411 mL | 5.4822 mL | |
| 10 mM | 0.2741 mL | 1.3705 mL | 2.7411 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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