| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
PDE2/PDE10-IN-1 (compound 6) has IC50 values of 29 and 480 nM, respectively, which indicate that it inhibits PDE2 and PDE10. Additionally, PDE2/PDE10-IN-1 inhibits PDE4D and PDE11A, with IC50 values of 5890 nM and 6920 nM, respectively. Additionally, PDE2/PDE10-IN-1 did not significantly inhibit any of the CYP450 enzymes (CYP1A2, 2C9, 2D6, 2C19, and 3A4). PDE2/PDE10-IN-1 was likewise inactive in bacterial mutagenicity tests at concentrations as high as 125 μg/mL [1].
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| ln Vivo |
Rats were given 2.5 mg/kg IV and 10 mg/kg po to study the PK characteristics of PDE2/PDE10-IN-1. Rapid clearance (t1/2=0.47 h) following intravenous administration was noted; this was surprising given the rat liver microsomes' (rLM) in vitro metabolic stability. It's interesting to note that PDE2/PDE10-IN-1 had good bioavailability and a maximum plasma concentration (Cmax) of 997 ng/mL following oral treatment, but with a longer clearance (t1/2=2.36 h). ). PDE2/PDE10-IN-1's ability to pass the blood-brain barrier was assessed in rats following a subcutaneous injection of 10 mg/kg. At pH > 3.5, PDE2/PDE10-IN-1 demonstrated satisfactory formulation with 10 to 20% HPβCD. Brain concentrations of PDE2/PDE10-IN-1, with high brain/plasma ratios and brain-free fractions, ranged from 370 to 895 ng/g one hour after treatment. More precisely, the 21 mg/kg PDE2 ED50 is occupied by the orally accessible PDE2/PDE10-IN-1 [1].
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| References |
| Molecular Formula |
C15H10CLN5
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|---|---|
| Molecular Weight |
295.726400852203
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| Exact Mass |
295.062
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| CAS # |
1426833-08-0
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| PubChem CID |
71295299
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| Appearance |
Off-white to brown solid powder
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| LogP |
3.2
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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 |
1
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| Heavy Atom Count |
21
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| Complexity |
381
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C12=NN=C(C3=CC=CC=C3Cl)N1C1C=NC=CC=1N=C2C
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| InChi Key |
SNQXTEAQGLZIDL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H10ClN5/c1-9-14-19-20-15(10-4-2-3-5-11(10)16)21(14)13-8-17-7-6-12(13)18-9/h2-8H,1H3
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| Chemical Name |
3-(2-chlorophenyl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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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 : ~12.5 mg/mL (~42.27 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.23 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 12.5 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: ≥ 1.25 mg/mL (4.23 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 1.25 mg/mL (4.23 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3815 mL | 16.9073 mL | 33.8146 mL | |
| 5 mM | 0.6763 mL | 3.3815 mL | 6.7629 mL | |
| 10 mM | 0.3381 mL | 1.6907 mL | 3.3815 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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