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| Other Sizes |
| Targets |
As a chemical intermediate, tert-butyl bis(2-hydroxyethyl)carbamate does not have a specific biological target or mechanism of action. It is used primarily as a synthetic building block rather than as a pharmacologically active compound. The compound's reactivity is determined by its functional groups: the carbamate moiety can be deprotected under acidic conditions to reveal a secondary amine, and the hydroxyl groups can be further functionalized via esterification, etherification, or other transformations.
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| ln Vitro |
Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC targets and selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system. An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
In vitro activity of tert-butyl bis(2-hydroxyethyl)carbamate is not typically assessed as a drug candidate, as it is a synthetic intermediate rather than a bioactive molecule. Its chemical reactivity and utility in organic synthesis are the primary focus of research. The compound can participate in various chemical reactions, including nucleophilic substitutions, esterifications, and coupling reactions, making it a versatile building block for complex molecule synthesis. |
| ln Vivo |
In vivo activity is not applicable for tert-butyl bis(2-hydroxyethyl)carbamate as it is not a pharmacologically active compound. The compound is used in research and industrial settings as a chemical intermediate. Any biological activity would be incidental and not the primary purpose of the compound. It is not intended for therapeutic use and is not administered to animals or humans for pharmacological studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not typically performed for tert-butyl bis(2-hydroxyethyl)carbamate, as it is not a bioactive compound. The compound is used as a chemical reagent and intermediate in organic synthesis. Its purity and chemical properties are characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry rather than by biological assays.
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| Cell Assay |
In vitro cell-based assays are not applicable for tert-butyl bis(2-hydroxyethyl)carbamate as it is not a pharmacologically active compound. The compound is used in chemical synthesis and is not evaluated for its effects on cell viability, proliferation, or other cellular functions. It is not intended for use in cell culture or biological research applications except as a chemical reagent for the synthesis of bioactive compounds.
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| Animal Protocol |
In vivo animal studies are not performed for tert-butyl bis(2-hydroxyethyl)carbamate as it is not a pharmacologically active compound. The compound is used as a chemical intermediate and is not intended for therapeutic use. Any animal studies involving this compound would be limited to toxicological evaluations for occupational safety or environmental impact rather than pharmacological efficacy studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of tert-butyl bis(2-hydroxyethyl)carbamate are not characterized as the compound is not a drug candidate. The compound is used as a chemical intermediate in organic synthesis. Its solubility in organic solvents and water, as well as its stability under various conditions, are relevant for its use in chemical synthesis rather than for pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
Toxicity data for tert-butyl bis(2-hydroxyethyl)carbamate are limited to standard safety data sheets for handling and occupational exposure. As with many organic compounds, appropriate safety precautions should be taken during handling, including the use of personal protective equipment. The compound should be stored and used in accordance with standard laboratory safety practices.
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| References | |
| Additional Infomation |
tert-Butyl bis(2-hydroxyethyl)carbamate is a chemical reagent and synthetic intermediate used in organic synthesis. It is a carbamate compound that serves as a protected form of an amino alcohol. The compound can be used to introduce the bis(2-hydroxyethyl)amino moiety into more complex molecules. Its applications are primarily in the fields of medicinal chemistry, materials science, and chemical research.
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| Molecular Formula |
C9H19NO4
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|---|---|
| Molecular Weight |
205.2515
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| Exact Mass |
205.131
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| CAS # |
103898-11-9
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| PubChem CID |
4360601
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.085
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| Boiling Point |
324.2ºC at 760 mmHg
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| Flash Point |
149.9ºC
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| Vapour Pressure |
1.95E-05mmHg at 25°C
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| Index of Refraction |
1.46
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| LogP |
0.208
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
14
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| Complexity |
170
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(N(C([H])([H])C([H])([H])O[H])C([H])([H])C([H])([H])O[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
KMUNFRBJXIEULW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3
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| Chemical Name |
tert-butyl N,N-bis(2-hydroxyethyl)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 | 4.8721 mL | 24.3605 mL | 48.7211 mL | |
| 5 mM | 0.9744 mL | 4.8721 mL | 9.7442 mL | |
| 10 mM | 0.4872 mL | 2.4361 mL | 4.8721 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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