| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
(S)-BAY 73-6691 is an inactive isomer and does not have significant biological activity. It serves as a negative control in experiments where (R)-BAY 73-6691 is the active PDE9A inhibitor. The active enantiomer targets PDE9A, an enzyme involved in cGMP hydrolysis in the brain.
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| ln Vitro |
As an inactive control compound, (S)-BAY 73-6691 does not exhibit significant PDE9A inhibitory activity. It is used to validate that observed effects in experiments are due to the active (R)-enantiomer rather than non-specific effects. It shows no cognitive enhancement or neuroprotective activity in standard assays.
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| ln Vivo |
In vivo, (S)-BAY 73-6691 is not expected to exhibit pharmacological activity. It may be used as a negative control in animal studies to distinguish the effects of the active compound from non-specific effects. Its lack of activity makes it a valuable tool for validating experimental results in PDE9A research.
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| Enzyme Assay |
Cell-free enzyme assays for (S)-BAY 73-6691: PDE9A activity is measured using a fluorescence polarization or scintillation proximity assay. The enzyme is incubated with [3H]-cGMP and varying concentrations of (S)-BAY 73-6691 (0.1-100 µM). The amount of hydrolyzed cGMP is measured, and IC50 values are calculated. The inactive enantiomer should show no significant inhibition.
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| Cell Assay |
Cellular assays for (S)-BAY 73-6691: neuronal cell lines or primary neurons are treated with (S)-BAY 73-6691 as a control alongside the active (R)-enantiomer. cGMP levels are measured by ELISA or LC-MS/MS. Cell viability and neuronal activity are assessed. The inactive enantiomer should show no effect on cGMP levels or neuronal function compared to vehicle control.
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| Animal Protocol |
In vivo animal studies for (S)-BAY 73-6691: animals are administered (S)-BAY 73-6691 as a control group in PDE9A inhibitor efficacy studies. The compound is dosed at levels matching the active compound to control for vehicle and non-specific effects. Cognitive function, neuroprotection, and pharmacokinetic parameters are compared between active and control groups to validate the therapeutic effects.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (S)-BAY 73-6691 are expected to be similar to those of (R)-BAY 73-6691, as they are enantiomers. As a small molecule (molecular weight ~368), it may have good oral bioavailability and blood-brain barrier penetration. It is likely metabolized in the liver and excreted via the kidneys. Detailed PK data are limited.
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| Toxicity/Toxicokinetics |
Toxicity of (S)-BAY 73-6691: as an inactive isomer used as a control compound, it is expected to have low toxicity. No specific toxicity data are available. It is for research use only and not intended for human therapeutic applications. Standard laboratory safety precautions should be followed during handling.
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| References | |
| Additional Infomation |
(S)-BAY 73-6691 is a research-grade compound used as an experimental control in PDE9A inhibitor research. Its primary application is to validate the specificity and activity of (R)-BAY 73-6691. It is not a therapeutic agent and has no clinical applications. It is available as a reference standard for analytical and pharmacological studies.
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| Molecular Formula |
C15H12CLF3N4O
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|---|---|
| Molecular Weight |
356.730192184448
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| Exact Mass |
356.065
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| CAS # |
794568-91-5
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| Related CAS # |
BAY 73-6691;794568-92-6;BAY 73-6691 racemate;794568-90-4
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| PubChem CID |
135566505
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
527
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C[C@@H](CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1)C(F)(F)F
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| InChi Key |
FFPXPXOAFQCNBS-QMMMGPOBSA-N
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| InChi Code |
InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m0/s1
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| Chemical Name |
1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-5H-pyrazolo[3,4-d]pyrimidin-4-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: 100 mg/mL (280.32 mM)
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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 | 2.8032 mL | 14.0162 mL | 28.0324 mL | |
| 5 mM | 0.5606 mL | 2.8032 mL | 5.6065 mL | |
| 10 mM | 0.2803 mL | 1.4016 mL | 2.8032 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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