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| Other Sizes |
| Targets |
4-Amino-3-hydroxybenzoic acid does not have a defined pharmacological target as it is a synthetic intermediate. The compound is used as a building block for synthesizing sphingosine kinase inhibitors and other pharmaceutical compounds. Sphingosine kinase inhibitors target the sphingosine kinase enzyme, which plays a role in cell signaling, proliferation, and survival. The compound serves as a key precursor for drug discovery programs.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 4-amino-3-hydroxybenzoic acid as it is a synthetic intermediate. The compound is used in medicinal chemistry as a building block for synthesizing sphingosine kinase inhibitors. Its activity is assessed in terms of synthetic utility and reactivity rather than direct biological activity. The compound serves as a precursor for the synthesis of bioactive molecules.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 4-amino-3-hydroxybenzoic acid as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives and the sphingosine kinase inhibitors synthesized from it may be evaluated in animal models of cancer and other diseases. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, 4-amino-3-hydroxybenzoic acid is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in various organic reactions including amidation, esterification, and coupling reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity is typically ≥98%. Melting point: 211-215°C.
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| Cell Assay |
4-Amino-3-hydroxybenzoic acid is not typically used in direct cell-based assays as it is a chemical intermediate. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound has a density of 1.5±0.1 g/cm³ and boiling point of 385.7±37.0°C.
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| Animal Protocol |
4-Amino-3-hydroxybenzoic acid is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories for organic synthesis applications. Storage: keep in a cool, dry place, protected from light and moisture. The compound should be stored in a tightly sealed container. Standard handling procedures for amino acids and phenolic compounds should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 4-amino-3-hydroxybenzoic acid as it is a synthetic intermediate. The compound has a molecular weight of 153.14 and molecular formula C7H7NO3. It has a density of 1.5±0.1 g/cm³, boiling point of 385.7±37.0°C at 760 mmHg, and vapor pressure of 0.0±0.9 mmHg at 25°C. Storage: keep in a cool, dry place protected from light and moisture. Purity: typically ≥98%. The compound has a melting point of 211-215°C.
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| Toxicity/Toxicokinetics |
4-Amino-3-hydroxybenzoic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. The compound may cause skin, eye, and respiratory irritation. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Structure in the first source
4-Amino-3-hydroxybenzoic acid (CAS 2374-03-0) has a Beilstein Registry Number of 509859 and MDL number MFCD00017094. The compound is used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors. No clinical trials or therapeutic approvals exist for the parent compound; it is a research intermediate. |
| Molecular Formula |
C7H7NO3
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|---|---|
| Molecular Weight |
153.14
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| Exact Mass |
153.042
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| CAS # |
2374-03-0
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| PubChem CID |
137566
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| Appearance |
Light brown to brown solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
385.7±37.0 °C at 760 mmHg
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| Melting Point |
211-215 °C(lit.)
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| Flash Point |
187.1±26.5 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.691
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| LogP |
0.68
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| Hydrogen Bond Donor Count |
3
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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 |
160
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1C(=O)O)O)N
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| InChi Key |
NFPYJDZQOKCYIE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
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| Chemical Name |
4-amino-3-hydroxybenzoic 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) |
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 | 6.5300 mL | 32.6499 mL | 65.2997 mL | |
| 5 mM | 1.3060 mL | 6.5300 mL | 13.0599 mL | |
| 10 mM | 0.6530 mL | 3.2650 mL | 6.5300 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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