| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
4-Boc-Aminopiperidine does not have a defined pharmacological target of its own, as it is a synthetic intermediate. It is used in the synthesis of aminopiperidine antiviral chemokine (C-C motif) receptor 5 (CCR5) antagonists and antibacterial agents. CCR5 is a chemokine receptor that serves as a co-receptor for HIV entry, making it a target for antiretroviral therapy.
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| ln Vitro |
4-(N-Boc-amino)piperidine is a component of the organic structure. Aminopiperidine antiviral chemokine (CC motif) receptor 5 (CCR5) antagonists and antibacterial medications have been made with it.
In vitro, 4-Boc-aminopiperidine is primarily used as a chemical reagent and synthetic intermediate. It is used in the synthesis of aminopiperidine antiviral CCR5 antagonists and antibacterial agents. As a mono-protected diamine building block, it is essential for the construction of complex nitrogen-containing therapeutics. The compound is also used as a functionalization reagent. |
| ln Vivo |
In vivo activity data for 4-Boc-aminopiperidine itself are not available, as the compound is not intended for direct in vivo administration. Rather, it is a precursor used in the synthesis of CCR5 antagonists and antibacterial agents that are subsequently evaluated in animal models. The compound's in vivo relevance is indirect, through the biological activities of the final pharmaceutical compounds derived from its piperidine scaffold.
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| Enzyme Assay |
For in vitro chemical synthesis, 4-Boc-aminopiperidine is used as a building block for the preparation of various compounds. The Boc-protected amine can be deprotected under acidic conditions to reveal the primary amine for further functionalization. The piperidine nitrogen can be alkylated or acylated. Standard protocols involve reacting the compound with appropriate reagents under controlled conditions, such as using bases for alkylation or acids for deprotection.
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| Cell Assay |
For in vitro cell-based experiments, 4-Boc-aminopiperidine is used as an intermediate in the synthesis of compounds that are tested in cell viability, proliferation, and cytotoxicity assays. The compound itself is not typically evaluated in cell-based assays. Standard cell culture protocols for test compounds synthesized from this intermediate involve dissolving the final product in DMSO and diluting to working concentrations in appropriate cell culture medium.
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| Animal Protocol |
In vivo animal studies using 4-Boc-aminopiperidine are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For CCR5 antagonists and antibacterial agents derived from this building block, efficacy studies would typically be performed in mouse models of HIV infection or bacterial infection. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with appropriate pharmacokinetic and pharmacodynamic endpoints.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Boc-aminopiperidine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 200.28 g/mol, which is within the favorable range for oral bioavailability. The Boc group may be cleaved in vivo to release the free amine. The piperidine scaffold is a common motif in drug molecules and is expected to have reasonable membrane permeability. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
4-Boc-Aminopiperidine is a research chemical and should be handled with appropriate laboratory safety precautions. As a piperidine derivative, it may cause skin and eye irritation. The compound is for research use only and not for human therapeutic or diagnostic applications. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature. Standard safety practices include the use of personal protective equipment and working in a fume hood.
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| References |
[1]. Burrows, JN, Cumming, JG, Fillery, SM, et al. Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas Bioorg. Med. Chem. Lett.15(1 )25-28(2005)
[2]. Reck, F., Alm, R., Brassil, P., et al.Novel N-linked aminopiperidine inhibitors of bacterial topoisomerase type II: Broad-spectrum antibacterial agents with reduced hERG activityJ. Med . Chem.54(22)7834-7847(2011) |
| Additional Infomation |
4-Boc-Aminopiperidine (4-(tert-Butoxycarbonylamino)piperidine) (CAS 73874-95-0) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a building block for the synthesis of aminopiperidine antiviral CCR5 antagonists and antibacterial agents, as a functionalization reagent, and as a pharma building block for complex nitrogen-containing therapeutics. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C10H20N2O2
|
|---|---|
| Molecular Weight |
200.28
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| Exact Mass |
200.152
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| CAS # |
73874-95-0
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| PubChem CID |
723833
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
304.8±31.0 °C at 760 mmHg
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| Melting Point |
162-166 °C(lit.)
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| Flash Point |
138.2±24.8 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.480
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| LogP |
1.32
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
193
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(N([H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
CKXZPVPIDOJLLM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
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| Chemical Name |
tert-butyl N-piperidin-4-ylcarbamate
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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: ~16.7 mg/mL (~83.2 mM; with ultrasonication and warming by heating to 60°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (8.34 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (16.7 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.67 mg/mL (8.34 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (16.7 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1.67 mg/mL (8.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (16.7 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.9930 mL | 24.9650 mL | 49.9301 mL | |
| 5 mM | 0.9986 mL | 4.9930 mL | 9.9860 mL | |
| 10 mM | 0.4993 mL | 2.4965 mL | 4.9930 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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