| Size | Price | Stock | Qty |
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| 250mg |
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| 500mg |
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| 1g |
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| 5g |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
4-(Methylamino)butan-1-ol itself does not have a specific, high-affinity pharmacological target (e.g., GPCR or kinase) that is currently characterized. As a short-chain amino alcohol, its biological activity is primarily attributed to its ability to interact with enzymes and receptors through the formation of hydrogen bonds via its hydroxyl and methylamino groups, potentially influencing the activity of various molecular targets. In biochemical assays, it has been evaluated as an inhibitor of cAMP phosphodiesterase (using bovine aorta) and dihydroorotase (from mouse Ehrlich ascites), though these activities were insignificant or required high micromolar concentrations. It may also serve as a solvent, cleansing agent, or emulsifying agent in certain formulations.
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| ln Vitro |
In vitro studies using 4-(Methylamino)butan-1-ol have explored its interaction with various enzymes. One study evaluated the compound for inhibition of cAMP phosphodiesterase using bovine aorta tissue. The assay was performed at 1 uM cGMP in the presence of calcium (10 uM) and calmodulin (15 nM), and the compound showed insignificant inhibitory activity. Another study evaluated its inhibitory effect on dihydroorotase enzyme from mouse Ehrlich ascites at a concentration of 10 uM and pH 7.37, yielding an IC50 of 1.00E+6 nM (1000 uM), indicating very weak activity. The compound's reactivity allows for selective modifications, facilitating the synthesis of complex molecules. The presence of a primary alcohol group enhances its solubility in polar solvents, improving handling in laboratory and industrial settings.
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| ln Vivo |
There is no significant direct in vivo pharmacological activity reported for 4-(Methylamino)butan-1-ol, as it is primarily a chemical building block rather than a drug candidate. However, the compound's reactivity allows for the synthesis of derivatives and prodrugs with potential in vivo properties. For example, the methylamino group can be further alkylated or incorporated into larger molecular architectures that exhibit antimicrobial activity by a dual mode of action (membrane disintegration and intracellular target inhibition), as seen with certain peptide-like structures derived from amino alcohol building blocks. Such derivatives can deactivate bacterial toxins and increase the expression of anti-inflammatory cytokines (such as IL-4 and IL-10) without promoting antimicrobial resistance.
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| Enzyme Assay |
As a chemical intermediate and building block, 4-(Methylamino)butan-1-ol is not typically subjected to standard receptor binding or enzyme inhibition assays where the compound itself is the active pharmaceutical ingredient. However, it can be used in assay development for coating surfaces or as a reference standard. For structural characterization, 1H NMR and 13C NMR spectroscopy are used to confirm the alkyl chain structure, the presence of the methylamino group (singlet around 2.3-2.4 ppm for N-CH3), and the terminal CH2-OH group (triplet around 3.5-3.6 ppm). Mass spectrometry (ESI-MS or GC-MS) is used to confirm the molecular weight of 103.16 g/mol (C5H13NO). Purity analysis is typically performed by GC-FID or HPLC with a C18 column and evaporative light scattering detection (ELSD).
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| Cell Assay |
4-(Methylamino)butan-1-ol is not typically used directly as a treatment in standard cell culture assays due to its role as a solvent or building block. However, it can be used to evaluate the biocompatibility of polymers or delivery systems derived from it. In a typical polymer synthesis protocol, the diol (or amino-alcohol) is polymerized with a diacid chloride in an organic solvent to form a poly(ester-amide). The resulting polymer is dissolved in DMSO and then precipitated into water to form nanoparticles. These nanoparticles are dispersed in cell culture media (0.1-10 mg/mL) and added to adherent cell lines (e.g., L929 fibroblasts). After 24-48 hours, cell viability is assessed using a CCK-8 or resazurin assay to determine if the polymer (derived from the intermediate) is non-cytotoxic. The compound itself may be used as a positive control for studies involving organic solvent-induced cell stress.
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| Animal Protocol |
Since 4-(Methylamino)butan-1-ol is not a therapeutic drug candidate, there are no standardized animal protocols for its direct administration. However, it can be used as an intermediate to synthesize prodrugs or active molecules that are subsequently evaluated in vivo. A typical protocol for evaluating a prodrug containing this moiety involves male Sprague-Dawley rats. The test compound is formulated in a vehicle (e.g., 5% DMSO, 5% Tween 80, 90% saline) and administered via oral gavage or intraperitoneal injection at a dose of 1-10 mg/kg. Blood samples are collected via tail vein at predetermined time points (0, 0.5, 1, 2, 4, 6, 8, 12, 24 hours). Plasma is analyzed by LC-MS/MS to determine the concentration of both the prodrug and the released 4-(Methylamino)butan-1-ol, which serves as a marker of prodrug activation and stability in vivo.
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| ADME/Pharmacokinetics |
As a small, polar amino alcohol (molecular weight 103.16 g/mol, LogP estimated around -0.1 to 0.5), 4-(Methylamino)butan-1-ol exhibits high water solubility and low protein binding. When administered systemically, it is expected to have a low volume of distribution (Vd ~0.5-1 L/kg) as it remains primarily in the extracellular fluid. It is not metabolized extensively, but the amine group may undergo N-acetylation, and the alcohol may undergo glucuronidation at high doses. The terminal elimination half-life is likely short (1-2 hours) due to rapid renal clearance of this highly polar molecule. Recovery of unchanged parent compound in urine is expected to be high (>70% within 24 hours). This PK profile suggests low accumulation risk with repeated dosing, but rapid clearance limits its utility as a stand-alone therapeutic agent.
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| Toxicity/Toxicokinetics |
According to safety data sheets, 4-(Methylamino)butan-1-ol is classified as a combustible liquid (H227). It is harmful if swallowed (H302, Acute toxicity oral) and causes skin irritation (H315) as well as serious eye irritation (H319). The acute oral LD50 in rats is estimated to be >500 mg/kg but <2000 mg/kg. It should be handled in a well-ventilated area (fume hood) with appropriate personal protective equipment including nitrile gloves, safety goggles, and a lab coat. Exposure may cause respiratory tract irritation (H335). In case of accidental ingestion, do NOT induce vomiting; rinse mouth and seek medical attention. This compound is for research use only and is not intended for human diagnostic or therapeutic purposes.
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| Additional Infomation |
4-(Methylamino)butan-1-ol is also known as 4-Methylamino butanol and has the CAS number 42042-68-2. The molecular formula is C5H13NO and the molecular weight is 103.16 g/mol. The compound is typically a clear, colorless to slightly yellowish liquid at room temperature. It is miscible with water, ethanol, and other polar organic solvents. It is used as a solvent, a pH adjuster in certain biological buffers, and as an intermediate in the synthesis of pharmaceutical ingredients such as local anesthetics, antihistamines, and beta-blockers. The compound should be stored at 2-8degC (refrigerated) in a tightly sealed container, protected from air and moisture to prevent oxidation of the amine group.
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| Molecular Formula |
C5H13NO
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| Molecular Weight |
103.16
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| Exact Mass |
103.1
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| CAS # |
42042-68-2
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| PubChem CID |
9833937
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| Appearance |
Liquid
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
7
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| Complexity |
31.3
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CNCCCCO
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| InChi Key |
DBKSSENEKWOVKL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H13NO/c1-6-4-2-3-5-7/h6-7H,2-5H2,1H3
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| Chemical Name |
4-(methylamino)butan-1-ol
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| Synonyms |
4-Methylamino butanol
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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 : ~200 mg/mL (~1938.74 mM; with sonication)
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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 | 9.6937 mL | 48.4684 mL | 96.9368 mL | |
| 5 mM | 1.9387 mL | 9.6937 mL | 19.3874 mL | |
| 10 mM | 0.9694 mL | 4.8468 mL | 9.6937 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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