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| Other Sizes |
| Targets |
Di-tert-butyl iminodicarboxylate does not have a defined pharmacological target. It is a chemical reagent used primarily in organic synthesis for the introduction of the Boc (tert-butoxycarbonyl) protecting group on amines. The compound is a valuable tool in peptide synthesis and medicinal chemistry for the protection of amino groups during multi-step synthesis.
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| ln Vitro |
Trans-diamino-2-butene and cis-1,4-diamino-2-butene, N-3-butenyl iminodicarboxylic acid di-tert-butene ester, N,N-di-tert-butyl [(2-fluoro-4-nitro)benzylamino] dicarboxylate, and the C1-C20 and C21-C40 fragments of tetrafibrin can all be made using di-tert-butyl-iminodicarboxylate. Gabriel's reagent was altered.
In vitro, Di-tert-butyl iminodicarboxylate is primarily used as a chemical reagent for organic synthesis. It finds extensive use in organic synthesis as a reagent for introducing the Boc protecting group on amines. The compound is employed in the synthesis of various pharmaceutical compounds and peptides. It is soluble in common organic solvents, making it suitable for solution-phase organic synthesis. |
| ln Vivo |
In vivo activity data for Di-tert-butyl iminodicarboxylate itself are not available, as the compound is not intended for in vivo administration. It is a chemical reagent used exclusively in vitro for organic synthesis and peptide chemistry applications. The compound is not designed for therapeutic use and has no established in vivo pharmacokinetic or pharmacodynamic profile.
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| Enzyme Assay |
For in vitro enzyme/receptor binding studies, Di-tert-butyl iminodicarboxylate is not evaluated as a test compound. Instead, it serves as a reagent for the synthesis of test compounds. The compound's properties include a molecular weight of 217.27 g/mol and a melting point of 114-117°C. It is air and light sensitive and should be stored at 2-8°C.
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| Cell Assay |
For in vitro cell-based experiments, Di-tert-butyl iminodicarboxylate is not used directly in cell culture. It is a chemical reagent used for the synthesis of compounds that may subsequently be tested in cell-based assays. The compound itself is not evaluated in cell-based assays. Standard cell culture protocols are not applicable for this reagent.
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| Animal Protocol |
In vivo animal studies for Di-tert-butyl iminodicarboxylate are not applicable, as the compound is a chemical reagent used exclusively for in vitro organic synthesis. No animal studies have been conducted for this compound, and it is not intended for therapeutic or diagnostic use in animals or humans.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Di-tert-butyl iminodicarboxylate are not available, as the compound is not a drug and is not administered to living organisms. The compound is a chemical reagent used in organic synthesis and has no therapeutic applications requiring pharmacokinetic characterization.
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| Toxicity/Toxicokinetics |
Di-tert-butyl iminodicarboxylate 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. The compound is air and light sensitive and should be stored at 2-8°C in a dark place. Specific LD₅₀ values, acute toxicity classifications, and chronic toxicity data are not available in the public literature.
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| Additional Infomation |
See other relationships...
Di-tert-butyl iminodicarboxylate (Boc-anhydride, CAS 51779-32-9) is a research-grade chemical reagent, not an FDA-approved pharmaceutical drug. Its primary application is in organic synthesis as a reagent for introducing the Boc protecting group on amines. The compound is widely used in peptide synthesis and medicinal chemistry for the protection of amino groups. It is available from chemical suppliers for laboratory research use only. No clinical trials or approved indications exist for this compound. |
| Molecular Formula |
C10H19NO4
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|---|---|
| Molecular Weight |
217.26
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| Exact Mass |
217.131
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| CAS # |
51779-32-9
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| PubChem CID |
279800
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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 |
273.8±9.0 °C at 760 mmHg
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| Melting Point |
114-117 °C(lit.)
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| Flash Point |
119.4±18.7 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.442
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| LogP |
2.25
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
15
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| Complexity |
221
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC(OC(C)(C)C)=O)OC(C)(C)C
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| InChi Key |
XCAQIUOFDMREBA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13)
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| Chemical Name |
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
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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 | 4.6028 mL | 23.0139 mL | 46.0278 mL | |
| 5 mM | 0.9206 mL | 4.6028 mL | 9.2056 mL | |
| 10 mM | 0.4603 mL | 2.3014 mL | 4.6028 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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