| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| Other Sizes |
| Targets |
2-Aminomethyl-15-crown-5 does not have a defined pharmacological target as it is a chemical reagent. The compound is a crown ether used in supramolecular chemistry for molecular recognition and host-guest chemistry. As a lariat ether, it is employed in the synthesis of derivatives and can act as a phase transfer catalyst. Its primary function is to bind cations and facilitate chemical reactions rather than to interact with biological targets.
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| ln Vitro |
No specific in vitro pharmacological activity data are available for 2-Aminomethyl-15-crown-5 as it is a chemical reagent. In research settings, the compound is used as a biochemical reagent for biomedical research. Its activity is assessed in terms of cation binding affinity, phase transfer catalytic efficiency, and synthetic utility rather than direct biological activity. The compound is used in supramolecular chemistry and recognition studies.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 2-Aminomethyl-15-crown-5 as it is not a therapeutic agent. The compound is used exclusively as a research reagent and chemical intermediate. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic chemistry, supramolecular chemistry, and biomedical research laboratories.
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| Enzyme Assay |
For non-cellular assays, 2-Aminomethyl-15-crown-5 is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a host molecule in cation binding studies. Typical protocols involve dissolving the compound in appropriate solvents and measuring binding constants with various cations using spectroscopic or electrochemical methods. Purity is typically ≥94% to ≥98%. The compound has a LogP of 0.11, 1 hydrogen bond donor, and 6 hydrogen bond acceptors.
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| Cell Assay |
For in vitro cell-based studies, 2-Aminomethyl-15-crown-5 is not typically used as a direct test compound. The compound is intended for synthetic chemistry and supramolecular chemistry applications. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a sealed and protected environment, avoiding exposure to moisture.
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| Animal Protocol |
For in vivo animal studies, 2-Aminomethyl-15-crown-5 can be formulated using common injection vehicles such as DMSO:Tween 80:Saline = 10:5:85 or DMSO:PEG300:Tween 80:Saline = 10:40:5:45 for intravenous, intraperitoneal, intramuscular, or subcutaneous administration. Dosing solutions should be freshly prepared and administered according to specific protocols. The compound is stable at ambient temperature for a few days during shipping.
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| ADME/Pharmacokinetics |
2-Aminomethyl-15-crown-5 has a molecular weight of 249.30 and molecular formula C11H23NO5. It has a density of 1.134 g/mL at 25°C, boiling point of 115°C at 0.08 mmHg, and flash point >230°F. The compound has a LogP of 0.11, 1 hydrogen bond donor, 6 hydrogen bond acceptors, and 1 rotatable bond. pKa: 9.12±0.29. Storage: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month.
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| Toxicity/Toxicokinetics |
2-Aminomethyl-15-crown-5 is classified as an irritant with hazard code Xi. Risk statements: R36/37/38 (irritating to eyes, respiratory system, and skin). Safety statements: S26 (in case of contact with eyes, rinse immediately with plenty of water and seek medical advice), S37/39 (wear suitable gloves and eye/face protection). WGK Germany: 3. The compound is for research use only and not for human consumption.
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| Additional Infomation |
2-Aminomethyl-15-crown-5 (CAS 83585-56-2) is also known as 1,4,7,10,13-pentaoxacyclopentadecane-2-methanamine, (1,4,7,10,13-pentaoxacyclopentadecan-2-yl)methanamine, and 1-aminomethyl-15-crown-5. It has a PubChem CID of 5204231 and BRN of 4671177. The compound is a lariat ether employed in the synthesis of derivatives and used in supramolecular catalysis and recognition. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C11H23NO5
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|---|---|
| Molecular Weight |
249.30
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| Exact Mass |
249.158
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| CAS # |
83585-56-2
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| PubChem CID |
5204231
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.134 g/mL at 25ºC(lit.)
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| Boiling Point |
115ºC0.08 mm Hg(lit.)
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| Flash Point |
>230 °F
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| Index of Refraction |
n20/D 1.48(lit.)
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| LogP |
0.11
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
170
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1CCOCCOC(CN)COCCOCC1
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| InChi Key |
AGNCFNQAIMILOU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H23NO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10,12H2
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| Chemical Name |
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanamine
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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) |
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 | 4.0112 mL | 20.0562 mL | 40.1123 mL | |
| 5 mM | 0.8022 mL | 4.0112 mL | 8.0225 mL | |
| 10 mM | 0.4011 mL | 2.0056 mL | 4.0112 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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