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| Other Sizes |
| Targets |
The primary targets of Methyl indole-3-carboxylate include RNA polymerase II, as it is used as a reagent in the preparation of oncrasin-1 derivatives that inhibit the C-terminal domain of RNA polymerase II. The compound itself is a metabolite and does not have a defined receptor target. It is functionally related to indole-3-carboxylic acid and is a member of the indole class of compounds. Its biological activity is primarily associated with its derivatives.
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| ln Vitro |
In vitro, Methyl indole-3-carboxylate is used as a chemical reagent rather than a bioactive compound. It is used in the preparation of oncrasin-1 derivatives, which are novel inhibitors of the C-terminal domain of RNA polymerase II. The compound itself does not exhibit significant biological activity but serves as a synthetic intermediate. It is extracted from Sorangium cellulosum Soce895 strain as a naturally occurring compound.
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| ln Vivo |
In vivo activity of Methyl indole-3-carboxylate is not applicable, as the compound is primarily a synthetic intermediate and metabolite rather than a therapeutic agent. Any in vivo activity would be associated with the oncrasin-1 derivatives synthesized from this compound. The compound is not intended for direct in vivo administration and is used exclusively for research and synthesis purposes.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable for Methyl indole-3-carboxylate, as it is a chemical building block rather than a bioactive compound. Quality control assays for this compound typically involve HPLC analysis to verify purity (≥98%) and identity. NMR spectroscopy and mass spectrometry are used to confirm the chemical structure. The compound is also tested for solubility and stability under standard storage conditions.
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| Cell Assay |
In vitro cellular assays are not applicable for Methyl indole-3-carboxylate, as it is a chemical building block used in organic synthesis rather than a bioactive compound. The compound is not tested in cellular models for biological activity. Instead, its utility is assessed by its use as a reagent in the synthesis of oncrasin-1 derivatives.
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| Animal Protocol |
In vivo animal studies are not applicable for Methyl indole-3-carboxylate, as it is a chemical building block rather than a therapeutic agent. The compound is not intended for direct in vivo administration and is used exclusively for research and synthesis purposes. Any in vivo studies would be conducted with the oncrasin-1 derivatives synthesized from this compound.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Methyl indole-3-carboxylate are not relevant, as it is a chemical building block rather than a therapeutic agent. The compound has a molecular weight of 175.18 and a molecular formula of C₁₀H₉NO₂. It appears as an off-white to pink solid powder with a purity of ≥98%. The compound is stable under recommended storage conditions and is used as a synthetic intermediate.
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| Toxicity/Toxicokinetics |
The toxicity profile of Methyl indole-3-carboxylate is not extensively characterized, as it is a chemical building block rather than a therapeutic agent. Standard safety data for handling and use in laboratory settings would apply. The compound is intended for research use only and is not approved for clinical use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Methyl indole-3-carboxylate is a methyl ester of indole-3-carboxylic acid, a metabolite. It belongs to the indole class of compounds and is a methyl ester. Its function is related to that of indole-3-carboxylic acid. Methyl indole-3-carboxylate has been reported in Balansia epichloe, Zymoseptoria tritici (wheat blister blight fungus), and other organisms with relevant data.
Methyl indole-3-carboxylate (CAS 942-24-5) has a molecular formula of C₁₀H₉NO₂ and a molecular weight of 175.18. It is the methyl ester of indole-3-carboxylic acid and is a naturally occurring compound extracted from Sorangium cellulosum Soce895 strain. The compound appears as an off-white to pink solid powder with a purity of ≥98%. It is used as a reagent in the preparation of oncrasin-1 derivatives and is intended for research use only. |
| Molecular Formula |
C10H9NO2
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|---|---|
| Molecular Weight |
175.18
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| Exact Mass |
175.063
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| CAS # |
942-24-5
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| PubChem CID |
589098
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| Appearance |
Off-white to pink solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
331.7±15.0 °C at 760 mmHg
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| Melting Point |
149-152 °C(lit.)
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| Flash Point |
154.4±20.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.639
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| LogP |
2.54
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
205
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
QXAUTQFAWKKNLM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
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| Chemical Name |
methyl 1H-indole-3-carboxylate
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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 (570.84 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.27 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (14.27 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7084 mL | 28.5421 mL | 57.0841 mL | |
| 5 mM | 1.1417 mL | 5.7084 mL | 11.4168 mL | |
| 10 mM | 0.5708 mL | 2.8542 mL | 5.7084 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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