![1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one](/upload/0290/825a9a4d-db83-4f30-80eb-b64036188f18.png)
| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| Targets |
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one does not have a defined biological target. Its function is chemical—it serves as a research compound for organic synthesis and medicinal chemistry. The pyrazolo[3,4-d]pyrimidine scaffold is a privileged structure in drug discovery, found in various kinase inhibitors and other bioactive compounds.
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| ln Vitro |
The compound exhibits no intrinsic pharmacological activity in vitro, as it is a research chemical. Its utility is demonstrated in organic synthesis and medicinal chemistry research. The pyrazolo[3,4-d]pyrimidine scaffold is a core structure in many bioactive compounds, and this derivative may be used as a building block for the synthesis of potential drug candidates.
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| ln Vivo |
The compound does not exhibit in vivo biological activity, as it is not a therapeutic agent. It is a research chemical used for organic synthesis and medicinal chemistry research. Any in vivo effects would be associated with the final products synthesized from this intermediate, not with the compound itself.
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| Enzyme Assay |
In vitro assays for this compound are not standard, as it is a research chemical. Standard characterization includes nuclear magnetic resonance (¹H NMR, ¹³C NMR) and mass spectrometry to confirm structure and purity. The compound is used as a building block for the synthesis of more complex molecules.
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| Cell Assay |
Cell-based experiments are not performed with this compound, as it is a research chemical. When used to synthesize drug candidates, those products may be tested in cell culture. The intermediate itself is not evaluated in cellular systems.
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| Animal Protocol |
In vivo animal studies are not conducted with this compound, as it is a research chemical. When used to synthesize drug candidates, those final products undergo standard preclinical evaluation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of this compound are not characterized, as it is not a drug substance. Based on its physicochemical properties (molecular weight 357.4), the compound would be expected to have moderate lipophilicity. However, it is not intended for human exposure.
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| Toxicity/Toxicokinetics |
The compound may cause skin and eye irritation. Standard laboratory safety precautions should be followed when handling this compound, including the use of gloves, safety glasses, and working in a fume hood.
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| Additional Infomation |
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one is a synthetic compound with a pyrazolo[3,4-d]pyrimidine scaffold. It has not undergone clinical trials and is not approved as a pharmaceutical.
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| Molecular Formula |
C17H19N5O2S
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|---|---|
| Molecular Weight |
357.43
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| Exact Mass |
357.126
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| CAS # |
955369-56-9
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| PubChem CID |
67170189
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
2.112
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
517
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N(CC=C)N(C2C=CC=C(C(C)(C)O)N=2)C2C1=CN=C(SC)N=2
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| InChi Key |
CTAHQYLRFXBFKB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H19N5O2S/c1-5-9-21-15(23)11-10-18-16(25-4)20-14(11)22(21)13-8-6-7-12(19-13)17(2,3)24/h5-8,10,24H,1,9H2,2-4H3
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| Chemical Name |
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-methylsulfanyl-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-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 |
| 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 | 2.7978 mL | 13.9888 mL | 27.9775 mL | |
| 5 mM | 0.5596 mL | 2.7978 mL | 5.5955 mL | |
| 10 mM | 0.2798 mL | 1.3989 mL | 2.7978 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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