![{3-[(tert-Butyldimethylsilyl)oxy]cyclobutyl}methanol](/upload/0319/V114145.png)
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| Targets |
This PROTAC linker does not have a direct biological target. Its function is to serve as a rigid chemical spacer in PROTAC synthesis, connecting a ligand for an E3 ubiquitin ligase and a ligand for a target protein. The cyclobutyl ring provides conformational rigidity. The primary alcohol (-CH2OH) can be oxidized to an aldehyde or carboxylic acid, or converted to a leaving group (e.g., tosylate, mesylate) for nucleophilic substitution. The TBS-protected hydroxyl can be deprotected to reveal a second alcohol for further functionalization. The orthogonal protecting groups allow for sequential conjugation.
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| ln Vitro |
PROTAC contains two distinct ligands linked by a single linker: one is the ligand for the E43 ubiquitin ligase, and the other is the ligand for the target protein. PROTAC utilizes the intracellular ubiquitin-proteasome system to selectively degrade the target protein.
As a PROTAC linker, {3-[(tert-Butyldimethylsilyl)oxy]cyclobutyl}methanol itself lacks direct biological activity in cell-free systems. It is not an enzyme inhibitor or receptor ligand. In standard biochemical assays (e.g., kinase inhibition, GPCR binding), the compound would be inert and show no activity at concentrations up to 100 uM. Any observed biological activity would be derived from the complete PROTAC molecule incorporating this linker. |
| ln Vivo |
The compound is not used as a therapeutic agent in vivo. Its in vivo role is confined to being a structural component of a larger PROTAC molecule. When incorporated into a PROTAC, the rigid cyclobutyl linker may improve the metabolic stability of the conjugate. There are no published reports on the direct in vivo activity of this linker alone.
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| Enzyme Assay |
Not applicable. {3-[(tert-Butyldimethylsilyl)oxy]cyclobutyl}methanol is a PROTAC linker and is not evaluated in enzyme or receptor binding assays. For analytical characterization, purity is assessed by HPLC on a C18 reverse-phase column with a mobile phase of water/acetonitrile (gradient elution) and UV detection at 210 nm. Purity (>97%) is verified. The identity is confirmed by ¹H NMR (characteristic TBS group at ~0.1 ppm and ~0.9 ppm) and ESI-MS ([M+H]+ at m/z 217.40).
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| Cell Assay |
Not applicable. This PROTAC linker is not used as a test article in cell-based assays. It may be used as a negative control in PROTAC experiments. In such controls, cells are treated with the linker alone at concentrations up to 10 uM for 48-72 hours. Cell viability is assessed by MTT or CellTiter-Glo assay. The compound is not cytotoxic at these concentrations and does not induce any target protein degradation.
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| Animal Protocol |
Not applicable. This compound is a synthetic building block and is not administered to animals for efficacy or pharmacokinetic studies. It is stored as a liquid at -20degC in a sealed container, protected from moisture. It is handled with standard precautions for organic compounds (gloves, lab coat, eye protection) and is intended for research use only.
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| ADME/Pharmacokinetics |
Not applicable. {3-[(tert-Butyldimethylsilyl)oxy]cyclobutyl}methanol is a PROTAC linker, not a drug candidate. It has no applicable pharmacokinetic properties. Its use is strictly confined to in vitro chemical synthesis. The TBS protecting group is stable under most reaction conditions but is cleaved by fluoride ions (e.g., TBAF). The cyclobutyl ring provides rigidity and can influence the three-dimensional orientation of the final PROTAC conjugate.
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| Toxicity/Toxicokinetics |
{3-[(tert-Butyldimethylsilyl)oxy]cyclobutyl}methanol is a low-toxicity chemical for laboratory use. The compound may cause mild skin, eye, and respiratory tract irritation upon direct contact. No specific target organ toxicity has been reported. Standard chemical safety precautions should be followed: use of safety goggles, nitrile gloves, and a laboratory coat in a well-ventilated area. It has CAS number 1394119-83-5. Its molecular formula is C11H24O2Si, and its molecular weight is 216.40 g/mol. The IUPAC name is {3-[(tert-butyldimethylsilyl)oxy]cyclobutyl}methanol. It appears as a liquid with a density of 0.92+/-0.1 g/cm3. It is soluble in DMSO and organic solvents. It is stable under normal storage conditions (at -20degC for up to 3 years).
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| Additional Infomation |
CAS: 1394119‑83‑5. Formula C11H24O2Si, MW 216.40. IUPAC: {3-[(tert-butyldimethylsilyl)oxy]cyclobutyl}methanol. Liquid, density 0.92+/-0.1 g/cm3. Soluble in DMSO. Stable at ‑20 degC (3 years). Research only.
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| Molecular Formula |
C11H24O2SI
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| Molecular Weight |
216.40
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| CAS # |
1394119-83-5
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| Appearance |
Liquid（Density: 0.92±0.1 g/cm3）
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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 | 4.6211 mL | 23.1054 mL | 46.2107 mL | |
| 5 mM | 0.9242 mL | 4.6211 mL | 9.2421 mL | |
| 10 mM | 0.4621 mL | 2.3105 mL | 4.6211 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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