![3-Azaspiro[5.5]undecane hydrochloride (4,4-Pentamethylenepiperidine hydrochloride)](/upload/1124/hy-107755.png)
| Size | Price | Stock | Qty |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
IC50: 1 μM (influenza A virus M2)[1]
3-Azaspiro[5.5]undecane hydrochloride does not have a specific biological target as it is primarily used as a synthetic intermediate. As a secondary amine, it can interact with various biological targets through hydrogen bonding and electrostatic interactions. The compound may be used as a precursor for the synthesis of pharmacologically active molecules, including drugs targeting the central nervous system or other therapeutic areas. |
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| ln Vitro |
In vitro biological activity of 3-azaspiro[5.5]undecane hydrochloride is not typically studied, as the compound is used as a building block. It may exhibit low cytotoxicity. Any biological activity would be incidental and related to its use as a precursor for bioactive compounds. Specific in vitro activity data are not available in the published literature. The compound's primary applications are in chemical synthesis.
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| ln Vivo |
In vivo activity of 3-azaspiro[5.5]undecane hydrochloride has not been studied, as the compound is not a drug candidate. It is used in chemical synthesis and may be a component of more complex molecules with biological activity. Animal model studies have not been reported for this compound. Its primary applications are in the laboratory rather than in vivo biological systems.
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| Enzyme Assay |
3-Azaspiro[5.5]undecane hydrochloride is used as a reagent and building block in organic synthesis. Standard chemical characterization methods such as NMR spectroscopy, mass spectrometry, and chromatography are used to verify its identity and purity. For reactions involving this compound, standard organic chemistry procedures for amines are followed. No specific biological assay protocols are relevant.
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| Cell Assay |
Cell-based studies are not typically performed for 3-azaspiro[5.5]undecane hydrochloride, as it is not a bioactive compound. If cytotoxicity screening is conducted, standard cell viability assays using mammalian cell lines may be employed. Cells are cultured in appropriate media and exposed to various concentrations of the compound. Viability is assessed using MTT or resazurin assays. However, such studies are not routine for this synthetic intermediate.
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| Animal Protocol |
In vivo animal studies are not applicable for 3-azaspiro[5.5]undecane hydrochloride as it is not a therapeutic compound. The compound is used in chemical synthesis and is not intended for administration to animals or humans. No animal model studies have been reported. Its use is limited to laboratory research and synthesis applications.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 3-azaspiro[5.5]undecane hydrochloride have not been studied. As a small hydrophilic molecule with a molecular weight of 189.73 g/mol, it would be expected to have rapid absorption and distribution if administered. However, the compound is not intended for therapeutic use, and PK studies are not relevant. Its primary applications are in chemical synthesis rather than biological systems.
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| Toxicity/Toxicokinetics |
Toxicological data for 3-azaspiro[5.5]undecane hydrochloride are limited. As a chemical reagent, standard safety precautions should be followed when handling. It may cause irritation to skin, eyes, and respiratory tract. Specific toxicological data such as LD₅₀ values have not been reported. The compound should be handled in a fume hood with appropriate personal protective equipment.
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| References |
[1]. Wang J, et al. Exploring the Requirements for the Hydrophobic Scaffold and Polar Amine in inhibitors of M2 from Influenza A Virus. ACS Med Chem Lett. 2011 Apr 14;2(4):307-312.
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| Additional Infomation |
3-Azaspiro[5.5]undecane hydrochloride is a chemical intermediate used in organic synthesis. It is a building block for the preparation of various pharmaceuticals and other fine chemicals. The spirocyclic scaffold is of interest in medicinal chemistry for the development of drugs targeting various therapeutic areas. The compound is available as a research chemical and is not intended for therapeutic use. No clinical trials or regulatory approvals have been reported.
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| Molecular Formula |
C10H20CLN
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|---|---|
| Molecular Weight |
189.7255
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| Exact Mass |
189.128
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| CAS # |
1125-01-5
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| PubChem CID |
22252831
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| Appearance |
Typically exists as solid at room temperature
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| Boiling Point |
273.7ºC at 760 mmHg
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| Flash Point |
119.3ºC
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| Vapour Pressure |
0.00437mmHg at 25°C
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| LogP |
3.451
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
12
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| Complexity |
117
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].N1([H])C([H])([H])C([H])([H])C2(C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]
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| InChi Key |
XDRWSBJRLMRJKA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H19N.ClH/c1-2-4-10(5-3-1)6-8-11-9-7-10;/h11H,1-9H2;1H
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| Chemical Name |
3-azaspiro[5.5]undecane;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 |
| 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 | 5.2706 mL | 26.3532 mL | 52.7065 mL | |
| 5 mM | 1.0541 mL | 5.2706 mL | 10.5413 mL | |
| 10 mM | 0.5271 mL | 2.6353 mL | 5.2706 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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