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| Other Sizes |
| Targets |
1-Aminopropan-2-ol targets enzymes involved in amino alcohol metabolism. It acts as a competitive inhibitor of ethanolamine ammonia-lyase. The compound is involved in the microbial metabolism of amino alcohols via propionaldehyde and acetaldehyde in Pseudomonas species. In Bacillus subtilis, it participates in threonine metabolism. As a reagent, it is used in the synthesis of protein kinase CK2 inhibitors, which are being developed for the treatment of neoplasia and other infective diseases. Its role as a microbial metabolite and a synthetic intermediate makes it a valuable tool for studying amino alcohol metabolism and for developing kinase inhibitors.
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| ln Vitro |
In vitro, 1-Aminopropan-2-ol is used as a reagent in organic synthesis, particularly in the synthesis of protein kinase CK2 inhibitors for cancer research. It also serves as a substrate or inhibitor in studies of amino alcohol metabolism. The compound inhibits ethanolamine ammonia-lyase in a competitive manner. It is involved in threonine metabolism in Bacillus subtilis strains and can serve as a nitrogen source on fungal media. Its role as a microbial metabolite makes it a useful tool for studying bacterial metabolism and nitrogen utilization. Detailed quantitative activity data (e.g., IC50 values) for its biological effects are limited in publicly available sources.
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| ln Vivo |
In vivo, 1-Aminopropan-2-ol is primarily used as a research reagent and synthetic intermediate rather than as a therapeutic agent. It has not been extensively studied in animal models as a standalone compound. As a microbial metabolite, it may play a role in bacterial metabolism, but its in vivo effects in mammals are not well-characterized. The compound's potential toxicity, as it can cause damage to mucous membranes, the upper respiratory tract, eyes, and skin, limits its utility for in vivo applications. Inhalation, ingestion, or skin absorption may be harmful. The compound is for research use only and is not approved for human therapeutic applications.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for 1-Aminopropan-2-ol typically uses ethanolamine ammonia-lyase as the enzyme source. The assay is performed by incubating the enzyme with varying concentrations of the test compound (typically 0.1 to 100 mM) and measuring the enzyme's activity using a suitable substrate (e.g., ethanolamine). The reaction product (acetaldehyde) is measured by spectrophotometry or by coupling to a dehydrogenase assay. The inhibition constant (Ki) is calculated from the dose-response data. For microbial metabolism studies, bacterial cultures are grown in media containing the compound, and metabolite production is analyzed by HPLC or GC-MS. For synthetic applications, standard organic synthesis protocols are used. Positive controls (known inhibitors) and negative controls (vehicle) are included in each assay run.
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| Cell Assay |
For in vitro cellular assays, various cell lines (e.g., cancer cells for kinase inhibitor studies) may be treated with 1-Aminopropan-2-ol as a synthetic intermediate or as a control compound. However, specific cellular assay protocols for the compound itself are not well-documented. The compound's primary use is as a reagent in organic synthesis rather than as a directly tested pharmacological agent. Cell viability assays (MTT, CellTiter-Glo) may be used to assess cytotoxicity if the compound is being evaluated as a potential drug candidate. All experiments include appropriate controls and are performed in triplicate.
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| Animal Protocol |
In vivo studies for 1-Aminopropan-2-ol are not well-documented, as the compound is primarily used as a research reagent and synthetic intermediate rather than as a therapeutic agent. If administered to animals, the compound would likely cause local irritation and systemic toxicity. Inhalation, ingestion, or skin absorption may be harmful, causing damage to mucous membranes, the upper respiratory tract, eyes, and skin. The compound is not typically used in animal models for efficacy studies. All animal procedures should be conducted in accordance with institutional guidelines, with appropriate safety precautions.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 1-Aminopropan-2-ol have not been extensively characterized, as it is primarily used as a research reagent rather than a therapeutic agent. The compound is a small, polar molecule with a molecular weight of 75.11. It is expected to have rapid absorption and distribution following administration. The compound is metabolized in the liver via oxidation and conjugation pathways. It is eliminated primarily via renal excretion. Due to its potential toxicity, systemic exposure is not typically targeted in research applications. Detailed PK data for 1-Aminopropan-2-ol are not available in publicly accessible literature.
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| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Oral LD50 in rats: 4.26 g/kg The toxicology of 1-Aminopropan-2-ol has been characterized to some extent due to its industrial and research use. Inhalation, ingestion, or skin absorption may be harmful. The compound severely damages mucous membranes, the upper respiratory tract, eyes, and skin. Inhalation can cause throat and bronchial spasms, inflammation and edema, chemical pneumonia, or pulmonary edema, which can be fatal. In acute toxicity studies, the compound shows significant local irritation and systemic toxicity at high doses. Chronic toxicity data are limited. The compound should be handled with appropriate laboratory safety precautions, including the use of personal protective equipment and adequate ventilation. The compound is for research use only and is not approved for human use. |
| References | |
| Additional Infomation |
Monoisopropanolamine is a colorless liquid with a slight ammonia odor. It is less dense than water and readily soluble in water. Its flash point is 74°C (165°F). It is corrosive to metals and tissues. Its vapor is heavier than air. Combustion produces toxic nitrogen oxides. It is used in plastics, paints, cutting oils, and specialty cleaning agents. 1-Aminopropan-2-ol refers to any amino alcohol in which propan-2-ol is replaced by an amino group at the 1-position. It is a metabolite of Escherichia coli. It is both an amino alcohol and a secondary alcohol. 1-Aminopropanol is a metabolite found or produced by Escherichia coli (strains K12 and MG1655). 1-Aminopropan-2-ol has also been reported in plants, humans, and other organisms in which relevant data are available.
1-Aminopropan-2-ol (Monoisopropanolamine) is a microbial metabolite involved in amino alcohol metabolism. It is used as a reagent in the synthesis of protein kinase CK2 inhibitors for cancer research and participates in threonine metabolism in Bacillus subtilis. The compound is not approved for human use and has not entered clinical trials as a therapeutic agent. It is available as a high-purity research reagent (typically ≥99%) for laboratory use only. Due to its potential toxicity, the compound should be handled with appropriate safety precautions. |
| Molecular Formula |
C3H9NO
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|---|---|
| Molecular Weight |
75.1097
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| Exact Mass |
75.068
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| CAS # |
78-96-6
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| PubChem CID |
4
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| Appearance |
Colorless to light green liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
159.9±13.0 °C at 760 mmHg
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| Melting Point |
-2ºC
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| Flash Point |
73.9±0.0 °C
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| Vapour Pressure |
0.9±0.6 mmHg at 25°C
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| Index of Refraction |
1.440
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| LogP |
-0.96
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
5
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| Complexity |
22.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC(CN)C
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| InChi Key |
HXKKHQJGJAFBHI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
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| Chemical Name |
1-aminopropan-2-ol
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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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~250 mg/mL (~3328.45 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (27.69 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 20.8 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: ≥ 2.08 mg/mL (27.69 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 20.8 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: ≥ 2.08 mg/mL (27.69 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 | 13.3138 mL | 66.5690 mL | 133.1381 mL | |
| 5 mM | 2.6628 mL | 13.3138 mL | 26.6276 mL | |
| 10 mM | 1.3314 mL | 6.6569 mL | 13.3138 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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