| Size | Price | Stock | Qty |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
As a chemical linker, 1,7-Bis-Boc-1,4,7-Triazaheptane does not have a biological target itself; rather, it is a synthetic building block. Its role is to connect two ligands: one that binds to a target protein of interest and another that recruits an E3 ubiquitin ligase. This chimeric molecule brings the target protein into proximity with the ligase, leading to its ubiquitination and subsequent degradation by the proteasome.
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| 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].
In vitro activity of this compound is not measured as a drug; instead, its utility is assessed in the context of PROTAC synthesis and the resulting degrader's activity. The linker's effectiveness is evaluated by the ability of the final PROTAC molecule to induce the degradation of its intended target protein in cellular assays, as measured by Western blot or other protein quantification methods. |
| ln Vivo |
In vivo activity is not applicable to the linker itself. However, PROTACs synthesized using this linker can be tested in animal models to evaluate their pharmacokinetic properties and efficacy in degrading target proteins and producing a therapeutic effect. The linker contributes to the overall stability, solubility, and cell permeability of the PROTAC molecule.
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| Enzyme Assay |
As a chemical reagent, there is no biological enzyme/receptor binding assay. Instead, its purity and structural integrity are confirmed using techniques like Nuclear Magnetic Resonance (NMR) spectroscopy and High-Performance Liquid Chromatography (HPLC). These analytical methods ensure the compound meets the required specifications for use in PROTAC synthesis.
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| Cell Assay |
Cellular experiments are not performed with the linker alone. However, the PROTACs synthesized using this linker are tested in cell culture. Cells are treated with the PROTAC, and target protein levels are analyzed via Western blot to measure degradation. Cell viability or proliferation assays may also be performed to assess the functional consequences of protein degradation.
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| Animal Protocol |
In vivo experiments are conducted with the final PROTAC molecules that incorporate this linker, not the linker itself. Animal models (e.g., mice with tumor xenografts) are used to evaluate the in vivo efficacy of the PROTAC. Parameters measured include tumor growth inhibition, target protein degradation in tissues, and pharmacokinetic profiles to assess the compound's oral bioavailability and half-life.
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| References |
[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
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| Molecular Formula |
C14H29N3O4
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|---|---|
| Molecular Weight |
303.3978
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| Exact Mass |
303.216
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| CAS # |
117499-16-8
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| PubChem CID |
15157893
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1g/cm3
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| Boiling Point |
440.5±30.0°C at 760 mmHg
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| Flash Point |
220.2±24.6°C
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| Index of Refraction |
1.466
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| LogP |
2.798
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
21
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| Complexity |
300
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
KNORWRWRHNHJAV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)
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| Chemical Name |
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]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) |
DMSO: ~50 mg/mL (~164.8 mM; with ultrasonication and warming by heating to 60°C)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (16.48 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 mg/mL (16.48 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (16.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2960 mL | 16.4799 mL | 32.9598 mL | |
| 5 mM | 0.6592 mL | 3.2960 mL | 6.5920 mL | |
| 10 mM | 0.3296 mL | 1.6480 mL | 3.2960 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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