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| Other Sizes |
| Targets |
1-Boc-homopiperazine is a drug intermediate used for the synthesis of bacterial FtsZ inhibitors. FtsZ is a protein essential for bacterial cell division, and its inhibition represents a novel strategy for antimicrobial therapy. The compound is also a molecule inhibitor of carboxylic acid reductase involved in the regulation of cellular pH and has been shown to be effective against bladder cancer cells.
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| ln Vitro |
In vitro, 1-Boc-homopiperazine is primarily used as a chemical reagent and synthetic intermediate. It is a valuable drug intermediate utilized in the synthesis of bacterial FtsZ inhibitors, playing a critical role in disrupting bacterial cell division. The compound is also used as a sulfonylation reagent for organic synthesis and drug discovery. It has been shown to be effective against bladder cancer cells.
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| ln Vivo |
In vivo data for 1-Boc-homopiperazine as a therapeutic agent are limited. The compound is a synthetic intermediate used in the development of bacterial FtsZ inhibitors and other pharmaceuticals. Its in vivo relevance is primarily indirect, through the biological activities of the final pharmaceutical compounds derived from its homopiperazine scaffold. Specific in vivo efficacy and pharmacokinetic data for the parent compound are not well-documented.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 1-Boc-homopiperazine derivatives are evaluated for FtsZ inhibitory activity. Standard protocols involve incubating the compound with recombinant FtsZ protein and measuring its effect on FtsZ polymerization using light scattering or GTPase activity assays. IC₅₀ values are calculated from dose-response curves. The compound's ability to inhibit bacterial cell division can be assessed.
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| Cell Assay |
For in vitro cell-based experiments, 1-Boc-homopiperazine 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 1-Boc-homopiperazine are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For antibacterial agents derived from this building block, efficacy studies would typically be performed in mouse models of bacterial infection. Standard in vivo protocols involve administration to rodents via oral gavage or intraperitoneal injection, with measurement of bacterial burden in target organs.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1-Boc-homopiperazine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 200.28 g/mol, which is favorable for oral bioavailability. The Boc group may be cleaved in vivo to release the free amine. The compound's properties allow it to improve the solubility and absorption of active pharmaceutical ingredients. Empirical pharmacokinetic data are not available.
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| Toxicity/Toxicokinetics |
1-Boc-homopiperazine is a research chemical and should be handled with appropriate laboratory safety precautions. As a piperazine 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 | |
| Additional Infomation |
1-Boc-homopiperazine (tert-Butyl 1,4-diazepane-1-carboxylate, CAS 112275-50-0) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are as a drug intermediate for the synthesis of bacterial FtsZ inhibitors and as a sulfonylation reagent for organic synthesis and drug discovery. The compound has shown effectiveness against bladder cancer cells. No clinical trials or approved indications exist.
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| Molecular Formula |
C10H20N2O2
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|---|---|
| Molecular Weight |
200.28
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| Exact Mass |
200.152
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| CAS # |
112275-50-0
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| PubChem CID |
2756058
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| Appearance |
Colorless to white liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
277.9±23.0 °C at 760 mmHg
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| Flash Point |
121.9±22.6 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.464
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| LogP |
0.94
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
14
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| Complexity |
199
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(N1C([H])([H])C([H])([H])N([H])C([H])([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 |
WDPWEXWMQDRXAL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3
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| Chemical Name |
tert-butyl 1,4-diazepane-1-carboxylate
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: ≥ 100 mg/mL (~499.3 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.48 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 (25.0 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. (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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