| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Orthanilic acid does not have a specific biological target as a drug. It is a chemical intermediate used in organic synthesis. It has roles in benzoate degradation and microbial metabolism in diverse environments. It promotes reverse turn formation in peptides, inducing a folded conformation when incorporated into peptide sequences. This property makes it useful in peptide chemistry for inducing specific conformations.
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|---|---|
| ln Vitro |
Orthanilic acid is not evaluated for biological activity in the same way as a drug. Its "activity" is related to its chemical properties as an aromatic sulfonic acid and its use as a building block for the synthesis of other compounds. In peptide chemistry, its ability to promote reverse turn formation is assessed by analyzing the conformation of peptides containing orthanilic acid residues using NMR or circular dichroism spectroscopy.
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| ln Vivo |
Orthanilic acid is not a therapeutic agent and is not administered in vivo. It is used as a chemical intermediate in the synthesis of pharmaceuticals, dyes, and other active compounds. Its applications are in organic synthesis and industrial chemistry rather than in medicine.
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| Enzyme Assay |
There are no standard cell-free receptor binding assays for orthanilic acid, as it is not a pharmaceutical compound that targets a biological receptor. Its chemical properties can be assessed using standard analytical techniques such as NMR, IR, and mass spectrometry. Its ability to promote reverse turn formation in peptides can be assessed using NMR or CD spectroscopy.
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| Cell Assay |
Orthanilic acid is not typically used in cellular assays as a direct modulator of cellular function. It may be used in the synthesis of compounds that are then tested in cellular assays. In peptide chemistry, peptides containing orthanilic acid residues can be tested for their biological activity in cellular assays. The compound itself is not expected to have significant effects on cell viability or function at the concentrations used in synthesis.
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| Animal Protocol |
Orthanilic acid is not administered in animal models. It is used as a chemical intermediate and is not intended for therapeutic use. Its safety and toxicity are assessed in the context of industrial chemical safety rather than pharmaceutical development.
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| ADME/Pharmacokinetics |
Orthanilic acid has a molecular weight of 173.19 g/mol and a molecular formula of C6H7NO3S. It is a white crystalline solid that is soluble in water and organic solvents. The compound should be stored at room temperature in a tightly closed container, protected from light. Specific pharmacokinetic parameters are not applicable as the compound is not a pharmaceutical.
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| Toxicity/Toxicokinetics |
Orthanilic acid is considered to have low toxicity but can cause skin and eye irritation upon contact. The compound should be handled with appropriate safety precautions, including the use of gloves, safety glasses, and proper ventilation. It is not classified as a carcinogen. In industrial settings, exposure should be minimized through the use of engineering controls and personal protective equipment.
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| Additional Infomation |
2-Aminobenzenesulfonic acid is a light brown powder. (NTP, 1992)
2-Aminobenzenesulfonic acid is an aminobenzenesulfonic acid with an amino group at the 2-position. It is the conjugate acid of 2-aminobenzenesulfonate. Orthanilic acid (2-aminobenzenesulfonic acid) is a chemical intermediate used in the synthesis of dyes, pharmaceuticals, and other organic compounds. It is also used in peptide chemistry to promote reverse turn formation in peptides. Orthanilic acid is not a pharmaceutical drug and is not intended for therapeutic use. It is available from chemical suppliers for research and industrial purposes. |
| Molecular Formula |
C6H7NO3S
|
|---|---|
| Molecular Weight |
173.19
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| Exact Mass |
173.014
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| CAS # |
88-21-1
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| Related CAS # |
117116-75-3
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| PubChem CID |
6926
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| Appearance |
Off-white to light brown solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
363ºC
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| Melting Point |
300 °C
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| Index of Refraction |
1.630
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| LogP |
0.09
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
219
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZMCHBSMFKQYNKA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
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| Chemical Name |
2-aminobenzenesulfonic acid
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| Synonyms |
NSC-147; NSC 147; Orthanilic acid
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~50 mg/mL (~288.70 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.44 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 (14.44 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 (14.44 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 | 5.7740 mL | 28.8700 mL | 57.7401 mL | |
| 5 mM | 1.1548 mL | 5.7740 mL | 11.5480 mL | |
| 10 mM | 0.5774 mL | 2.8870 mL | 5.7740 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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