| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
4-Aminobutan-1-ol inhibits porcine liver transglutaminase 2 with a Ki of 280 µM. Transglutaminase 2 is an enzyme involved in protein cross-linking and has been implicated in various diseases, including cancer and neurodegenerative disorders. The compound does not have a specific receptor target but may interact with transglutaminase through its amino and hydroxyl functional groups. It is primarily used as a building block for synthesizing bioactive molecules rather than as a direct therapeutic agent.
|
|---|---|
| ln Vitro |
In vitro, 4-aminobutan-1-ol exhibits inhibitory activity against porcine liver transglutaminase 2 with a Ki of 280 µM. This inhibition may have implications for studying transglutaminase-related biological processes. The compound is also used as a building block for synthesizing NSAIDs, cyclic amines, and polyamine transport ligands. These synthesized compounds may have various biological activities, including anticancer properties. The parent compound itself is primarily a research reagent.
|
| ln Vivo |
In vivo data for 4-aminobutan-1-ol are limited as it is primarily a chemical intermediate and research reagent. The compound is not a drug candidate and is not typically administered to animals for efficacy testing. However, polyamine transport ligands synthesized from this compound have been developed with specificity against human cancers, suggesting potential in vivo applications for derivatives. The parent compound itself is not used in vivo.
|
| Enzyme Assay |
For enzyme inhibition assays using 4-aminobutan-1-ol, the compound is incubated with purified transglutaminase 2 in a buffer system (e.g., Tris-HCl, pH 7.4, containing Ca²⁺ and a substrate such as monodansylcadaverine) at 37°C. Enzyme activity is measured by monitoring the incorporation of the fluorescent substrate into a protein acceptor. Inhibitory potency (Ki) is determined from kinetic analysis of dose-response curves. Controls include enzyme alone and vehicle controls.
|
| Cell Assay |
For cell-based studies, 4-aminobutan-1-ol and its derivatives are tested in various cell lines depending on the intended application. For transglutaminase inhibition studies, cells expressing transglutaminase 2 are cultured in appropriate media and treated with varying concentrations of the compound. Enzyme activity is assessed by measuring protein cross-linking or by fluorescent substrate incorporation. For anticancer studies using polyamine transport ligands derived from this compound, cancer cell lines are treated, and cell viability and proliferation are assessed.
|
| Animal Protocol |
In vivo studies with 4-aminobutan-1-ol derivatives may involve administration to tumor-bearing mice via oral gavage or intravenous injection. For polyamine transport ligands, efficacy against human cancers may be evaluated. Tumor growth inhibition, survival, body weight, and pharmacokinetic parameters are monitored. Tissue distribution and toxicity are assessed by histopathology. All procedures follow institutional animal care guidelines.
|
| ADME/Pharmacokinetics |
4-Aminobutan-1-ol is a synthetic chemical compound and is not subject to comprehensive pharmacokinetic evaluation as a drug. Its physicochemical properties include a molecular weight of 89.14 g/mol and a molecular formula of C4H11NO. The compound is soluble in water and organic solvents due to its bifunctional nature (amino and hydroxyl groups). It is stable under normal storage conditions and is available in high purity for research use.
|
| Toxicity/Toxicokinetics |
The toxicological profile of 4-aminobutan-1-ol has not been extensively characterized. As an amine and alcohol compound, it may cause skin, eye, and respiratory tract irritation. Standard laboratory safety precautions should be observed, including the use of personal protective equipment (gloves, goggles, lab coat) and adequate ventilation. Ingestion or inhalation should be avoided. Appropriate first-aid measures should be in place.
|
| Additional Infomation |
The structure given in the first document
4-Aminobutan-1-ol is not a drug but a valuable chemical intermediate and building block for medicinal chemistry and organic synthesis. It is used in the production of active pharmaceutical ingredients (APIs) and in the synthesis of NSAIDs, cyclic amines, and polyamine transport ligands. It exhibits inhibitory activity against transglutaminase 2, making it useful for biochemical research. Polyamine transport ligands derived from this compound have shown specificity against human cancers. It is not approved for clinical use. |
| Molecular Formula |
C4H11NO
|
|---|---|
| Molecular Weight |
89.14
|
| Exact Mass |
89.084
|
| CAS # |
13325-10-5
|
| PubChem CID |
25868
|
| Appearance |
Colorless to off-white <16°C powder,>18°C liquid
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
206.0±0.0 °C at 760 mmHg
|
| Melting Point |
16-18 °C(lit.)
|
| Flash Point |
107.8±0.0 °C
|
| Vapour Pressure |
0.1±0.8 mmHg at 25°C
|
| Index of Refraction |
1.448
|
| LogP |
-0.77
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
6
|
| Complexity |
23.5
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
|
| InChi Key |
BLFRQYKZFKYQLO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
|
| Chemical Name |
4-aminobutan-1-ol
|
| 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 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (1121.83 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 | 11.2183 mL | 56.0915 mL | 112.1831 mL | |
| 5 mM | 2.2437 mL | 11.2183 mL | 22.4366 mL | |
| 10 mM | 1.1218 mL | 5.6092 mL | 11.2183 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
