| Size | Price | Stock | Qty |
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| 10g |
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| Other Sizes |
| Targets |
1-Methylisatin is used as a fragment molecule in drug discovery and does not have a specific pharmacological target of its own. Its function is to serve as a scaffold for the design and synthesis of novel drug candidates. As an impurity of Ramosetron, it is related to the serotonin 5-HT3 receptor, but it is not the primary active compound. It has also been used in the study of the regulation of drug metabolism in vivo, suggesting it may interact with metabolic enzymes. However, its precise molecular targets are not well-defined.
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| ln Vitro |
Specific in vitro biological activities for 1-Methylisatin are not extensively documented in the available literature. It is primarily used as a building block in chemical synthesis and drug discovery. As a fragment molecule, it is used to construct more complex molecules with potential biological activities. Its role as an impurity of Ramosetron indicates it may have some affinity for the 5-HT3 receptor, but this is not its primary application. It has also been used as a reactant in the stereoselective preparation of spirobicyclic compounds.
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| ln Vivo |
In vivo, 1-Methylisatin has been used in the study of regulation of drug metabolism. Its role in this context is not fully detailed in the available literature. As a fragment molecule, it is not typically used as a therapeutic agent in vivo. Its primary application is in chemical synthesis and drug discovery research. If used in animal studies, it would likely be as a precursor or intermediate in the synthesis of other compounds, rather than as a bioactive molecule itself.
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| Enzyme Assay |
In vitro enzyme or receptor binding assays for 1-Methylisatin are not typically performed, as the compound is not a known bioactive molecule with a defined target. Its use in research is primarily as a synthetic intermediate or fragment for medicinal chemistry. When used in such contexts, it is subjected to chemical reactions rather than biological assays. The compound's purity and identity are confirmed using standard analytical techniques such as GC or HPLC.
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| Cell Assay |
Cell-based assays using 1-Methylisatin are not typical, as the compound is not a bioactive molecule used for studying cellular processes. Its primary application is in chemical synthesis, where it serves as a reactant. It is not generally used directly in cell culture experiments. The compound's role as an impurity of Ramosetron suggests it may have some biological activity, but this is not its primary application.
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| Animal Protocol |
In vivo animal experiments using 1-Methylisatin are not typical, as the compound is a synthetic intermediate rather than a therapeutic agent. It is not administered to animals for therapeutic purposes. Its role is limited to chemical synthesis and drug discovery. If used in animal studies, it would be as a precursor in the synthesis of other compounds that are then tested in vivo.
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| ADME/Pharmacokinetics |
1-Methylisatin has a molecular weight of 161.16 g/mol and the formula C9H7NO2. It is a light yellow to amber to dark green powder or crystal with a melting point of 128.0 to 133.0 °C. For long-term storage, the compound is kept at room temperature. Its purity is typically ≥98.0%. The compound is soluble in organic solvents.
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| Toxicity/Toxicokinetics |
Specific toxicological data for 1-Methylisatin are not provided in the available sources. As a research chemical, its safety profile in humans has not been established. The compound is classified as a research reagent for organic synthesis and is not for therapeutic or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment. Its purity is typically ≥98% or higher.
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| References |
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| Additional Infomation |
1-Methylisatin (CAS 2058-74-4) is a heterocyclic compound and a derivative of isatin, also known as N-methylisatin. It has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. 1-Methylisatin is used as a fragment molecule in drug discovery, serving as a scaffold for molecular linking, expansion, and modification. It is also an impurity of the drug Ramosetron, a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting. The compound has been studied for its role in the regulation of drug metabolism in vivo. It appears as a light yellow to amber to dark green powder or crystal and is stored at room temperature. It is intended for research use only.
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| Molecular Formula |
C9H7NO2
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|---|---|
| Molecular Weight |
161.1574
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| Exact Mass |
161.047
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| CAS # |
2058-74-4
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| PubChem CID |
16358
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| Appearance |
Orange to red solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
294.3±23.0 °C at 760 mmHg
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| Melting Point |
130-133 °C(lit.)
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| Flash Point |
137.4±15.0 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.607
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| LogP |
0.58
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
237
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
VCYBVWFTGAZHGH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
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| Chemical Name |
1-methylindole-2,3-dione
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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 : ≥ 125 mg/mL (~775.63 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 | 6.2050 mL | 31.0251 mL | 62.0501 mL | |
| 5 mM | 1.2410 mL | 6.2050 mL | 12.4100 mL | |
| 10 mM | 0.6205 mL | 3.1025 mL | 6.2050 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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