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| Other Sizes |
| Targets |
4-Azepanone hydrochloride does not have a defined primary drug target as it is a chemical reagent and synthetic building block rather than a therapeutic agent. The azepanone (seven-membered lactam) core is found in various pharmacologically active compounds, including certain kinase inhibitors, protease inhibitors, and CNS-active agents. The ketone and amine functionalities enable diverse derivatization to create molecules that interact with specific biological targets. As a synthetic intermediate, the compound itself is not designed to bind to specific proteins or receptors in a therapeutic context.
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| ln Vitro |
As a synthetic reagent, 4-Azepanone hydrochloride is not typically evaluated for direct in vitro biological activity against specific molecular targets. The compound serves as a precursor for biologically active molecules rather than possessing intrinsic pharmacological activity. Its primary applications are in organic synthesis as a building block for heterocyclic compounds and pharmaceutical intermediates. Any biological activity observed would be incidental and not the intended purpose.
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| ln Vivo |
The compound itself is not typically evaluated for in vivo activity as it is a synthetic intermediate. Drug candidates synthesized from 4-Azepanone hydrochloride may be evaluated in animal models for various indications, but the biological activity is attributed to the final drug molecule rather than the intermediate. The compound's primary applications remain in chemical synthesis and medicinal chemistry research as a building block for heterocyclic drug discovery.
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| Enzyme Assay |
Cell-free biochemical assays involving 4-Azepanone hydrochloride typically focus on its use as a synthetic reagent. In organic synthesis, the compound can be used as a building block for the preparation of various azepane derivatives. A standard protocol for reductive amination involves treating the ketone with an amine and a reducing agent (e.g., NaBH₃CN or NaBH(OAc)₃) in an appropriate solvent such as methanol or dichloroethane. The hydrochloride salt is typically neutralized with a base before reaction. Reactions are monitored by TLC and products are characterized by NMR and mass spectrometry. The compound's purity is verified by titration.
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| Cell Assay |
Cell-based assays are not typically performed with 4-Azepanone hydrochloride as the compound is a chemical reagent rather than a drug candidate. If evaluating the biological activity of compounds synthesized from this intermediate, standard cell-based protocols would apply depending on the target indication. For example, cancer cell lines may be treated with the synthesized compound at various concentrations for 24-72 hours, and cell viability assessed by MTT or CellTiter-Glo assays. The intermediate itself may be used as a control.
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| Animal Protocol |
In vivo studies are not typically conducted with 4-Azepanone hydrochloride itself. For drug candidates synthesized using this intermediate, standard in vivo efficacy studies involve rodent models of the target disease. A typical protocol includes oral or intravenous administration of the test compound at various doses, with monitoring of disease progression through appropriate endpoints. The azepanone core may influence the overall pharmacokinetic and pharmacodynamic profile of the final drug.
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| ADME/Pharmacokinetics |
As a chemical reagent rather than a drug, comprehensive pharmacokinetic data for 4-Azepanone hydrochloride is not available. The compound's molecular weight is approximately 149.62 g/mol. The compound is a solid at room temperature. For drug molecules synthesized from this intermediate, ADME properties depend on the final structure. The azepanone core may confer moderate lipophilicity and hydrogen bonding capability. The hydrochloride salt form suggests good aqueous solubility.
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| Toxicity/Toxicokinetics |
Toxicological data specific to 4-Azepanone hydrochloride is limited. As with all chemical reagents, standard laboratory safety precautions should be observed when handling this compound. The compound may cause irritation upon skin or eye contact. For drug candidates synthesized using this intermediate, comprehensive toxicological evaluation is required as part of the drug development process.
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| Additional Infomation |
4-Azepanone hydrochloride is a research chemical and synthetic intermediate rather than an approved pharmaceutical agent. No clinical trials or regulatory approvals exist for this compound itself. It is commercially available from various chemical suppliers for research purposes only. The compound's primary value lies in its utility as a versatile building block in organic synthesis for the preparation of azepane-containing heterocyclic compounds and pharmaceutical intermediates. The seven-membered ring azepanone core is a useful scaffold in medicinal chemistry, enabling diverse functionalization for drug discovery.
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| Molecular Formula |
C6H12CLNO
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|---|---|
| Molecular Weight |
149.62
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| Exact Mass |
149.06
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| CAS # |
50492-22-3
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| PubChem CID |
22021728
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| Appearance |
Off-white to light yellow solid powder
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| Melting Point |
170 °C
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| LogP |
1.459
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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 |
0
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| Heavy Atom Count |
9
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| Complexity |
90.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CC(=O)CCNC1.Cl
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| InChi Key |
WFTRLIZPJMFJER-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H11NO.ClH/c8-6-2-1-4-7-5-3-6;/h7H,1-5H2;1H
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| Chemical Name |
azepan-4-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 | 6.6836 mL | 33.4180 mL | 66.8360 mL | |
| 5 mM | 1.3367 mL | 6.6836 mL | 13.3672 mL | |
| 10 mM | 0.6684 mL | 3.3418 mL | 6.6836 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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