| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| Other Sizes |
| Targets |
Alkyl-Chain
PROTAC Linkers. |
|---|---|
| ln Vitro |
One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
As a linker molecule, this compound itself has no intrinsic biological activity; it serves as a structural connector joining a target protein ligand and an E3 ubiquitin ligase ligand in PROTAC synthesis. The biotin group enables subsequent avidin-based purification or detection. |
| ln Vivo |
No specific in vivo activity has been reported for this linker alone; its pharmacological activity is derived from the final PROTAC molecule after conjugation with appropriate ligands.
|
| Enzyme Assay |
N/A; this linker is not assessed in isolated enzyme/receptor binding assays but is used as a synthetic building block. Its quality is typically verified by HPLC and mass spectrometry.
|
| Cell Assay |
N/A; this compound is not tested alone in cell-based assays but is incorporated into complete PROTAC molecules for cellular degradation and detection studies.
|
| Animal Protocol |
N/A; no animal studies are performed with the linker alone.
|
| ADME/Pharmacokinetics |
This compound is a small molecule with an alkyl chain spacer. It is typically stored as a powder at -20degC to maintain stability. Solubility varies depending on the solvent used for downstream applications.
|
| Toxicity/Toxicokinetics |
This product is for laboratory research use only and is not intended for human clinical or therapeutic applications. Standard chemical safety precautions should be followed during handling.
|
| References | |
| Additional Infomation |
The biotin group provides a versatile tool for pull-down assays and detection of PROTAC-protein interactions. This linker enables the synthesis of biotinylated PROTACs for studying target engagement and degradation mechanisms.
|
| Molecular Formula |
C15H28N4O2S
|
|---|---|
| Molecular Weight |
328.47
|
| Exact Mass |
328.193
|
| CAS # |
115416-38-1
|
| PubChem CID |
83906
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.131g/cm3
|
| Boiling Point |
652ºC at 760mmHg
|
| Flash Point |
348.1ºC
|
| Vapour Pressure |
7.01E-17mmHg at 25°C
|
| Index of Refraction |
1.529
|
| LogP |
2.466
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
22
|
| Complexity |
381
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
NCCCCCNC(CCCCC1SCC2NC(NC12)=O)=O
|
| InChi Key |
CCSGGWGTGOLEHK-OBJOEFQTSA-N
|
| InChi Code |
InChI=1S/C15H28N4O2S/c16-8-4-1-5-9-17-13(20)7-3-2-6-12-14-11(10-22-12)18-15(21)19-14/h11-12,14H,1-10,16H2,(H,17,20)(H2,18,19,21)/t11-,12-,14-/m0/s1
|
| Chemical Name |
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-aminopentyl)pentanamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO :~100 mg/mL (~304.44 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0444 mL | 15.2221 mL | 30.4442 mL | |
| 5 mM | 0.6089 mL | 3.0444 mL | 6.0888 mL | |
| 10 mM | 0.3044 mL | 1.5222 mL | 3.0444 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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