| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Isatoic anhydride does not have a specific biological target, as it is a synthetic intermediate rather than a pharmacologically active compound. It is primarily used as a chemical reagent for the synthesis of various heterocyclic compounds, which may have biological activities. Isatoic anhydride can react with amines, alcohols, and other nucleophiles to form a variety of products, including quinazolinones, benzodiazepines, and other fused heterocycles. These products may target various biological targets such as enzymes, receptors, and ion channels. The compound itself is not used as a therapeutic agent but serves as a key building block in medicinal chemistry.
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|---|---|
| ln Vitro |
In vitro activity of Isatoic anhydride is not characterized as a pharmacological agent, as it is a synthetic intermediate. Its primary in vitro application is in chemical synthesis reactions. The compound is used to synthesize various heterocyclic compounds, which are then evaluated for biological activities. Isatoic anhydride reacts with amines to form anthranilic acid derivatives, which can be further cyclized to form quinazolinones, benzodiazepines, and other heterocycles. The compound itself is not typically evaluated in biological assays, as it is a research tool for organic synthesis. Its reactivity and selectivity in chemical reactions are the primary focus of its use.
|
| ln Vivo |
In vivo activity is not applicable to Isatoic anhydride, as the compound is a synthetic intermediate rather than a directly administered drug. The compound is not used in animal studies in its native form. Instead, the heterocyclic compounds synthesized from Isatoic anhydride may be evaluated in vivo for their therapeutic effects. However, the specific in vivo activity of Isatoic anhydride itself has not been reported. The compound is intended for research use only and is not intended for human use. Its role is limited to the chemical synthesis of more complex molecules that may have biological activity.
|
| Enzyme Assay |
In vitro enzyme or receptor binding assay protocols are not applicable to Isatoic anhydride, as the compound is a synthetic intermediate rather than a pharmacologically active compound. The compound is primarily characterized by analytical techniques such as NMR, IR, and mass spectrometry to confirm identity and purity. In the context of chemical synthesis, the compound's reactivity is assessed by monitoring the progress of reactions using TLC or HPLC. The compound is not typically evaluated in enzyme or receptor binding assays. Its use is limited to organic synthesis and medicinal chemistry research.
|
| Cell Assay |
In vitro cell-based assay protocols are not applicable to Isatoic anhydride, as the compound is a synthetic intermediate rather than a biologically active compound. The compound is not typically tested in cell-based assays in its native form. Instead, the heterocyclic compounds synthesized from Isatoic anhydride are evaluated in cell-based assays for their biological effects. A standard protocol for evaluating a synthesized compound would involve treating cells with varying concentrations of the compound and assessing effects on cell viability, proliferation, or other relevant endpoints. However, these assays are performed on the final products, not on Isatoic anhydride itself.
|
| Animal Protocol |
In vivo animal experimental protocols are not applicable to Isatoic anhydride, as the compound is a synthetic intermediate rather than a directly administered drug. The compound is not used in animal studies in its native form. Instead, heterocyclic compounds synthesized from Isatoic anhydride may be evaluated in vivo for their therapeutic effects. A hypothetical protocol for evaluating a synthesized compound in vivo would involve administering the compound to animal models of disease via appropriate routes. Endpoints would include assessment of therapeutic efficacy, pharmacokinetic parameters, and safety. However, these studies are performed on the final products, not on Isatoic anhydride.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Isatoic anhydride as a directly administered compound, as it is a synthetic intermediate rather than a drug. The compound is not intended for in vivo administration, and its PK properties have not been characterized. The compound has a molecular weight of 163.13 and a molecular formula of C8H5NO3. It is a solid at room temperature and should be stored under inert gas, away from moisture. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported.
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| References | |
| Additional Infomation |
The structure given in the first document
Isatoic anhydride is a research-grade chemical that serves as a versatile synthetic intermediate for the synthesis of various heterocyclic compounds, including quinazolines and benzodiazepines. It is widely used in pharmaceutical and agrochemical research as a building block for biologically active molecules. The compound is moisture-sensitive and should be stored under inert gas. Isatoic anhydride has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action is chemical, serving as a reagent for the synthesis of compounds with potential biological activities. The compound is available for research purposes. |
| Molecular Formula |
C8H5NO3
|
|---|---|
| Molecular Weight |
163.13
|
| Exact Mass |
163.026
|
| CAS # |
118-48-9
|
| PubChem CID |
8359
|
| Appearance |
Light brown to gray solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Melting Point |
243 °C WITH DECOMPOSITION
|
| Flash Point |
308 °C
|
| Index of Refraction |
1.586
|
| LogP |
0.9
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
226
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C(N([H])C2=C([H])C([H])=C([H])C([H])=C2C1=O)=O
|
| InChi Key |
TXJUTRJFNRYTHH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
|
| Chemical Name |
1H-3,1-benzoxazine-2,4-dione
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
Typically soluble in DMSO (e.g. 10 mM)
|
|---|---|
| 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 | 6.1301 mL | 30.6504 mL | 61.3008 mL | |
| 5 mM | 1.2260 mL | 6.1301 mL | 12.2602 mL | |
| 10 mM | 0.6130 mL | 3.0650 mL | 6.1301 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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