| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
Shield-1 Tosylate targets FK506-binding protein-12 (FKBP) and its mutants, particularly the F36V mutant, with high affinity (Kd = 2.4 nM).
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| ln Vitro |
Shield-1 sensitive labile domains (0.1 nM–1 μM) are characterized [1]. Shield-1 (1 μM; 24 hours) treatment demonstrated great expression on both TRPV5 and YFP when the mtFKBP destabilizing domain was linked with TRPV5 or YFP, leading to the formation of a functional ion channel between mtFKBP-TRPV5 [2].
In vitro, Shield-1 Tosylate binds to the human FKBP F36V mutant with a Kd of 2.4 nM. It binds to the human FKBP F36V/L106P mutant-YFP fusion protein in NIH3T3 cells with an EC50 of 100 nM. It functions as a high-affinity ligand for FKBP. |
| ln Vivo |
In vivo, Shield-1 Tosylate is used as a tool to conditionally regulate the expression of proteins fused to a mutant FKBP (mtFKBP) destabilizing domain. By binding to mtFKBP, it reverses instability and stabilizes the fusion protein, allowing for its functional study in cells and organisms.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Shield-1 Tosylate involve measuring its binding affinity to FKBP12 and its mutants. This is typically done using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to determine the Kd. Competitive binding assays with a fluorescently labeled FKBP ligand can also be used to determine the IC50.
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| Cell Assay |
Western Blot analysis [1]
Cell Types: NIH3T3 cells Tested Concentrations: 0.1 nM-1 μM Incubation Duration: Experimental Results: Stabilized YFP fusion protein L106P was produced by higher concentrations of Shld1 (EC50∼100 nM). Western Blot Analysis[2] Cell Types: HEK293 cells[2] Tested Concentrations: 1 μM Incubation Duration: 24 hrs (hours) Experimental Results: TRPV5 and YFP were well expressed when Shield-1 was present in the culture medium, but in the absence of Shield-1 Under the condition, the expression of TRPV5 or YFP is diminished. YFP protein expression. In vitro cellular assays for Shield-1 Tosylate are performed in cell lines expressing a protein of interest fused to a mutant FKBP (mtFKBP) destabilizing domain. Cells are treated with the compound, and the expression of the fusion protein is monitored by Western blot or by measuring a reporter (e.g., YFP fluorescence). The compound's ability to stabilize the protein and restore its function is assessed. |
| Animal Protocol |
In vivo animal studies with Shield-1 Tosylate are conducted in transgenic mice expressing a protein of interest fused to a mtFKBP domain. The compound is administered orally or intraperitoneally, and the expression and function of the fusion protein are analyzed in various tissues. This allows for the temporal control of protein expression in living animals to study its physiological role.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Shield-1 Tosylate are not detailed in publicly available sources. As a cell-permeable ligand, it is designed to cross cell membranes. Its water-soluble tosylate salt form suggests it has been formulated for improved bioavailability and administration in biological studies.
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| Toxicity/Toxicokinetics |
Toxicological data for Shield-1 Tosylate are not widely published. As a research tool, its safety profile is evaluated in the context of specific experiments. It is generally well-tolerated at the concentrations used for in vitro and in vivo studies. No significant toxicity has been reported.
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| References |
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| Additional Infomation |
Shield-1 Tosylate is a research tool used in the FKBP-based destabilizing domain (DD) system for the conditional regulation of protein stability. It allows for the rapid and reversible control of protein expression levels in cells and transgenic animals. It is not an approved drug.
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| Molecular Formula |
C42H56N2O10
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|---|---|
| Molecular Weight |
748.901453018188
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| Exact Mass |
748.393
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| CAS # |
914805-33-7
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| PubChem CID |
44455162
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| Appearance |
White to yellow solid powder
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| LogP |
6.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
19
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| Heavy Atom Count |
54
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| Complexity |
1100
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| Defined Atom Stereocenter Count |
3
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| SMILES |
[C@@H](C1C=C(OC)C(OC)=C(OC)C=1)(CC)C(N1CCCC[C@H]1C(=O)O[C@@H](C1C=CC=C(OCCN2CCOCC2)C=1)CCC1C=CC(OC)=C(OC)C=1)=O
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| InChi Key |
RGQLXMGMLXCQRQ-YQWFAZLASA-N
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| InChi Code |
InChI=1S/C42H56N2O10.C7H8O3S/c1-7-33(31-27-38(49-4)40(51-6)39(28-31)50-5)41(45)44-18-9-8-13-34(44)42(46)54-35(16-14-29-15-17-36(47-2)37(25-29)48-3)30-11-10-12-32(26-30)53-24-21-43-19-22-52-23-20-431-6-2-4-7(5-3-6)11(8,9)10/h10-12,15,17,25-28,33-35H,7-9,13-14,16,18-24H2,1-6H32-5H,1H3,(H,8,9,10)/t33-,34+,35-/m0./s1
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| Chemical Name |
(S)-(R)-3-(3,4-Dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl
1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate
Tosylate
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| Synonyms |
Shield-1 Tosylate Shield 1 Tosylate Shield1 Tosylate AquaShield-1 AquaShield 1 AquaShield1
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
DMSO : ~67.5 mg/mL (~90.13 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.25 mg/mL (7.01 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 52.5 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: 5.25 mg/mL (7.01 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 52.5 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: ≥ 5.25 mg/mL (7.01 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 | 1.3353 mL | 6.6765 mL | 13.3529 mL | |
| 5 mM | 0.2671 mL | 1.3353 mL | 2.6706 mL | |
| 10 mM | 0.1335 mL | 0.6676 mL | 1.3353 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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