| Size | Price | |
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| Other Sizes |
| Targets |
(S)-3-Amino-2-oxo-azepane does not have a biological target; it is a chemical intermediate. It is a synthetic building block used to introduce the L-lysine cyclic lactam structure into more complex molecules, particularly peptidomimetics. The (S) configuration refers to the absolute stereochemistry at the 3-position (the original alpha-carbon of lysine), which is critical for biological activity in the final product.
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|---|---|
| ln Vitro |
In vitro, (S)-3-Amino-2-oxo-azepane hydrochloride is not biologically active. It is used as a building block for the synthesis of pharmaceutical compounds and as a standard in analytical chemistry. It is used to synthesize novel heterocyclic structures, including bicyclic lactams and peptide analogs. Its purity is ≥98% by HPLC, and it is a white to off-white solid powder.
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| ln Vivo |
(S)-3-Amino-2-oxo-azepane hydrochloride is not used in in vivo animal studies as a drug candidate on its own. It is a research chemical and synthetic intermediate. Any biological activity observed in vivo would be from the final molecule synthesized from it. The parent compound is not administered to animals for efficacy or toxicity studies.
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| Enzyme Assay |
No direct receptor binding protocol is applicable for (S)-3-Amino-2-oxo-azepane hydrochloride. To verify its chirality, an analytical HPLC method using a chiral stationary phase (e.g., Chiralpak AD-H) is employed. The compound is dissolved in hexane/isopropanol (90:10) with 0.1% diethylamine. The enantiomeric purity (>98% ee) is determined by comparing the peak areas of the two enantiomers. This ensures the desired (S) configuration is retained.
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| Cell Assay |
(S)-3-Amino-2-oxo-azepane hydrochloride is not used directly in cell-based assays. However, a peptidomimetic synthesized from it could be tested in cellular assays. For example, cells are treated with the peptidomimetic (1-50 uM) for 24-72 hours. Cell viability is assessed by MTT assay. If the peptidomimetic is an inhibitor of a specific protein, its activity can be measured by a Western blot for a downstream signaling protein.
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| Animal Protocol |
In an animal study, a drug candidate derived from (S)-3-Amino-2-oxo-azepane hydrochloride could be evaluated for its analgesic activity. Mice are administered the test compound orally (10-50 mg/kg) 30 minutes before being placed on a hot plate (55degC). The latency to paw licking or jumping is recorded. A significant increase in latency compared to the control indicates an analgesic effect. Ofloxacin is a known fluoroquinolone antibiotic.
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| ADME/Pharmacokinetics |
N-Desmethyl ofloxacin exhibits antibacterial activity, inhibiting DNA gyrase and topoisomerase IV in bacteria. It is used as an analytical standard.
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| Toxicity/Toxicokinetics |
N-Desmethyl ofloxacin is a metabolite of ofloxacin formed via N-demethylation by CYP450 enzymes.
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| References | |
| Additional Infomation |
In vitro activity is assessed by MIC assays. For in vivo animal studies, ofloxacin is administered, and the metabolite is measured in plasma.
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| Molecular Formula |
C6H13CLN2O
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|---|---|
| Molecular Weight |
164.63
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| Exact Mass |
128.094
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| CAS # |
26081-07-2
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| PubChem CID |
12228560
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| Appearance |
Solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
315.1±35.0 °C at 760 mmHg
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| Flash Point |
144.4±25.9 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.470
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| LogP |
-1.64
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
10
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| Complexity |
114
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O=C1NCCCC[C@@H]1N.[H]Cl
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| InChi Key |
LWXJCGXAYXXXRU-JEDNCBNOSA-N
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| InChi Code |
InChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H/t5-;/m0./s1
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| Chemical Name |
(3S)-3-aminoazepan-2-one;hydrochloride
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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) |
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 | 6.0742 mL | 30.3711 mL | 60.7423 mL | |
| 5 mM | 1.2148 mL | 6.0742 mL | 12.1485 mL | |
| 10 mM | 0.6074 mL | 3.0371 mL | 6.0742 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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