| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
4-Boc-2-Oxopiperazine does not have a defined pharmacological target of its own. It is a synthetic intermediate that functions as a key intermediate in the synthesis of renin inhibitors and dipeptidyl peptidase (DPP) inhibitors. The compound is a carbamate-protected piperazinone that serves as a building block for the synthesis of various biologically active compounds targeting the renin-angiotensin system and DPP enzymes.
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| ln Vitro |
In vitro, 4-Boc-2-Oxopiperazine is primarily used as a chemical reagent and synthetic intermediate. It is employed in the synthesis of various pharmaceutical compounds that are subsequently tested in in vitro assays. The compound is soluble in DMSO, ethanol, and DMF. As a Boc-protected piperazinone, it is a common building block for the construction of drug-like molecules targeting renin and DPP enzymes.
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| ln Vivo |
In vivo activity data for 4-Boc-2-Oxopiperazine 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 drug candidates 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 it, such as renin inhibitors and DPP inhibitors.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, 4-Boc-2-Oxopiperazine is not typically evaluated as a test compound itself. Instead, it serves as a reagent for the synthesis of test compounds. The compound's properties include a molecular weight of 200.23 g/mol, a TPSA of 58.6 Ų, and a logP of -1.06, indicating high polarity. The Boc protecting group enables selective deprotection and functionalization in medicinal chemistry.
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| Cell Assay |
For in vitro cell-based experiments, 4-Boc-2-Oxopiperazine 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-2-Oxopiperazine are conducted on the final drug compounds synthesized from it, not on the intermediate itself. For renin inhibitors and DPP inhibitors derived from this building block, efficacy studies would typically be performed in rodent models of hypertension or diabetes. Standard in vivo protocols involve administration via oral gavage or intraperitoneal injection.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Boc-2-Oxopiperazine as a standalone compound are not characterized in the literature. The compound has a molecular weight of 200.23 g/mol, which is within the favorable range for oral bioavailability. The logP of -1.06 indicates high water solubility, which may limit passive membrane permeability. Empirical pharmacokinetic data are not available for this intermediate compound.
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| Toxicity/Toxicokinetics |
4-Boc-2-Oxopiperazine is a research chemical and should be handled with appropriate laboratory safety precautions. As a carbamate compound, it may pose risks of skin and eye irritation. 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 (gloves, safety goggles, lab coat) and working in a well-ventilated area.
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| Additional Infomation |
4-Boc-2-Oxopiperazine (1-Boc-3-oxopiperazine, CAS 76003-29-7) is primarily a research-grade chemical intermediate, not an FDA-approved pharmaceutical drug. Its primary applications are in organic synthesis as a building block for renin inhibitors and dipeptidyl peptidase (DPP) inhibitors. The compound is a carbamate-protected piperazinone that serves as a key intermediate in pharmaceutical development. It is available from chemical suppliers for laboratory research use only. No clinical trials or approved indications exist for this compound.
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| Molecular Formula |
C9H16N2O3
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|---|---|
| Molecular Weight |
200.23
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| Exact Mass |
200.116
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| CAS # |
76003-29-7
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| PubChem CID |
3157178
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
359.1±35.0 °C at 760 mmHg
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| Melting Point |
156-160 °C(lit.)
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| Flash Point |
171.0±25.9 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.480
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| LogP |
-1.06
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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 |
245
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(N1CC(NCC1)=O)=O)C(C)(C)C
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| InChi Key |
FCMLWBBLOASUSO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
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| Chemical Name |
tert-butyl 3-oxopiperazine-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 |
| 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 | 4.9943 mL | 24.9713 mL | 49.9426 mL | |
| 5 mM | 0.9989 mL | 4.9943 mL | 9.9885 mL | |
| 10 mM | 0.4994 mL | 2.4971 mL | 4.9943 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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