| 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 |
| Targets |
PDE1-IN-2 targets phosphodiesterase 1 (PDE1), a family of calcium/calmodulin-dependent cyclic nucleotide phosphodiesterases that hydrolyze cAMP and cGMP. The compound inhibits three PDE1 isoforms with differential potency: PDE1C (IC50 = 6 nM), PDE1B (IC50 = 140 nM), and PDE1A (IC50 = 164 nM). By blocking PDE1 activity, PDE1-IN-2 prevents the degradation of cyclic nucleotides, leading to increased intracellular levels of cAMP and cGMP. This modulates signaling pathways involved in neurodegenerative and psychiatric disorders.
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| ln Vitro |
The central nervous system (CNS) expresses PDE1 enzymes, which makes this gene family a desirable source of novel targets for the treatment of neurological and psychiatric disorders [1].
In vitro, PDE1-IN-2 potently inhibits PDE1 isoforms with IC50 values of 6 nM for PDE1C, 140 nM for PDE1B, and 164 nM for PDE1A. The compound's potent inhibition of PDE1C suggests that it may have significant effects on tissues where this isoform is predominantly expressed, such as the brain and cardiovascular system. By increasing intracellular cAMP and cGMP levels, PDE1-IN-2 modulates signaling pathways involved in neuronal function and cardiovascular regulation. The compound is used as a research tool to study PDE1 biology. |
| ln Vivo |
Detailed in vivo activity data for PDE1-IN-2 are not extensively documented in publicly available literature. The compound was developed for the research of neurodegenerative disorders and psychiatric disorders. By inhibiting PDE1 and increasing cyclic nucleotide levels, PDE1-IN-2 is expected to modulate neuronal signaling pathways involved in cognition, mood, and motor function. Further in vivo studies are needed to fully characterize its therapeutic potential in animal models of neurodegenerative and psychiatric disorders.
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| Enzyme Assay |
Enzyme activity assays for PDE1-IN-2 are performed using purified recombinant PDE1 isoforms (PDE1A, PDE1B, and PDE1C). Enzyme activity is measured by monitoring the hydrolysis of cAMP or cGMP to AMP or GMP. PDE1-IN-2 is incubated with the enzyme and substrate at varying concentrations in appropriate assay buffer. The reaction is stopped, and product formation is quantified using methods such as radiometric detection, fluorescence, or luminescence-based assays. IC50 values are calculated from concentration-response curves.
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| Cell Assay |
Cellular assays for PDE1-IN-2 are performed using cell lines that express PDE1 isoforms, such as neuronal or cardiovascular cell lines. Cells are cultured in appropriate media and treated with PDE1-IN-2 at varying concentrations for defined time periods. Intracellular cAMP and cGMP levels are measured using ELISA or mass spectrometry. The effects on downstream signaling pathways are assessed by measuring the phosphorylation of PKA or PKG substrates by Western blot. Cell viability and proliferation may also be assessed.
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| Animal Protocol |
In vivo studies with PDE1-IN-2 are conducted in animal models of neurodegenerative disorders and psychiatric disorders. The compound is administered via appropriate routes (e.g., oral, intraperitoneal, or intravenous) at defined doses and schedules. Behavioral and cognitive assessments are performed to evaluate the compound's effects on learning, memory, and mood. Biochemical analyses are conducted on brain tissues to measure cyclic nucleotide levels and signaling pathway activation. Pharmacokinetic parameters are determined from plasma samples collected at various time points.
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| ADME/Pharmacokinetics |
PDE1-IN-2 has a molecular weight of 381.27 and a molecular formula of C16H21BrN4O2. The compound is soluble in DMSO at 10 mM. It has a predicted boiling point of 563.8+/-60.0degC at 760 Torr and a density of 1.70+/-0.1 g/cm3. Detailed pharmacokinetic parameters are documented in the patent literature (WO2016/55618 A1). The compound should be stored in a cool and dry place.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for PDE1-IN-2 are not extensively documented in publicly available sources. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines. The compound is described in patent WO2016/55618 A1.
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| References | |
| Additional Infomation |
PDE1-IN-2 is a potent phosphodiesterase 1 (PDE1) inhibitor with IC50 values of 6 nM for PDE1C, 140 nM for PDE1B, and 164 nM for PDE1A. It was developed for the research of neurodegenerative disorders and psychiatric disorders. By blocking PDE1 activity, PDE1-IN-2 prevents the degradation of cyclic nucleotides such as cAMP and cGMP, increasing intracellular second messenger levels and modulating neuro- and cardiovascular-related signaling. PDE1-IN-2 is for research purposes only.
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| Molecular Formula |
C16H21BRN4O2
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|---|---|
| Molecular Weight |
381.267542600632
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| Exact Mass |
380.084
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| CAS # |
1904611-63-7
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| PubChem CID |
121273157
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| Appearance |
White to gray solid powder
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| Density |
1.7±0.1 g/cm3
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| Boiling Point |
563.8±60.0 °C at 760 mmHg
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| Flash Point |
294.8±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.738
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| LogP |
1.94
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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 |
3
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| Heavy Atom Count |
23
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| Complexity |
489
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCC(C1)CN2C(=CN3C(=NN=C3C2=O)C4CCOCC4)Br
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| InChi Key |
UDLAXUPVISWZSI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H21BrN4O2/c17-13-10-21-14(12-5-7-23-8-6-12)18-19-15(21)16(22)20(13)9-11-3-1-2-4-11/h10-12H,1-9H2
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| Chemical Name |
6-bromo-7-(cyclopentylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
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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 : ~25 mg/mL (~65.57 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.56 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6228 mL | 13.1141 mL | 26.2281 mL | |
| 5 mM | 0.5246 mL | 2.6228 mL | 5.2456 mL | |
| 10 mM | 0.2623 mL | 1.3114 mL | 2.6228 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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