![3-Boc-3,9-Diazaspiro[5.5]undecane hydrochloride](/upload/0319/V113466.png)
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| Targets |
As a PROTAC linker, this compound does not directly bind to any biological target. Its function is to provide a rigid, conformationally constrained spirocyclic spacer for connecting an E3 ubiquitin ligase ligand and a target protein ligand.
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| ln Vitro |
PROTAC contains two distinct ligands linked by a single linker: one is the ligand for the E298 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.
No direct in vitro activity is reported for the linker itself. The compound is a chemical building block. The spirocyclic structure offers conformational constraint, which may enhance the ternary complex formation efficacy and degradation selectivity of the final PROTAC conjugate. |
| ln Vivo |
No direct in vivo activity is reported for the linker alone. The biological activity and therapeutic potential depend entirely on the complete PROTAC molecule assembled using this linker building block.
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| Enzyme Assay |
No established cell-free assay for this linker. General protocol for assessing PROTAC ternary complex formation: surface plasmon resonance (SPR) or biolayer interferometry (BLI) can be used to measure binding affinities between target protein, PROTAC (containing this linker), and CRBN/VHL E3 ligase complex.
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| Cell Assay |
No established cellular protocol for this linker. For complete PROTAC molecules containing this spirocyclic linker, a standard cellular degradation assay involves treating cultured cells (e.g., HeLa, HEK293T) with 0.001-10 uM PROTAC for 4-24 hours, followed by Western blot analysis.
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| Animal Protocol |
No established animal protocol for this linker. For final PROTAC conjugates, typical in vivo study: administer 1-50 mg/kg PROTAC to mice via IP injection, collect plasma and target tissues at multiple time points (0.5, 1, 2, 4, 8, 24 hours), and quantify target protein degradation by IHC or Western blot.
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| ADME/Pharmacokinetics |
Moderate lipophilicity (cLogP ~2.5-3.0) due to the spirocyclic core and Boc group. The Boc group is likely metabolically cleaved in vivo to expose the secondary amine. Moderate plasma protein binding. The rigid spirocyclic structure may reduce metabolic clearance compared to flexible alkyl linkers.
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| Toxicity/Toxicokinetics |
Low acute oral toxicity expected (LD50 >2000 mg/kg) based on structurally related spirocyclic amines. May cause skin, eye, and respiratory tract irritation (H315, H319, H335). Avoid prolonged exposure. Handle in a chemical fume hood with appropriate PPE (gloves, lab coat, safety goggles).
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| Additional Infomation |
Store as a white to off-white solid at 2-8degC, protect from light and moisture. Molecular weight: 290.83 g/mol; formula: C14H27ClN2O2; CAS: 236406-47-6. Purity typically ≥95% by HPLC. For research use only. Not for human therapeutic use. Soluble in DMSO and organic solvents. Also known as 3-Boc-3,9-diazaspiro[5.5]undecane hydrochloride.
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| Molecular Formula |
C14H27CLN2O2
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| Molecular Weight |
290.83
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| Exact Mass |
290.176
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| CAS # |
236406-47-6
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| Related CAS # |
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
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| PubChem CID |
67269440
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
293
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.Cl
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| InChi Key |
SABRTFCGXPHVTA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;/h15H,4-11H2,1-3H3;1H
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| Chemical Name |
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;hydrochloride
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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 | 3.4384 mL | 17.1922 mL | 34.3843 mL | |
| 5 mM | 0.6877 mL | 3.4384 mL | 6.8769 mL | |
| 10 mM | 0.3438 mL | 1.7192 mL | 3.4384 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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