| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
N/A (Alkyl linker)
|
|---|---|
| ln Vitro |
The compound is a bifunctional alkyl linker containing a bromine atom and a chlorine atom at opposite ends, both susceptible to nucleophilic substitution reactions. It is used to connect a target protein ligand and an E3 ligase ligand during PROTAC synthesis.
|
| ln Vivo |
As a linker, the compound itself has no biological activity. The in vivo activity depends on the PROTAC constructed with it. PROTACs induce degradation of specific target proteins via the ubiquitin-proteasome system, representing a novel pharmacological modality.
|
| Enzyme Assay |
Not applicable. The compound is chemically characterized using GC-MS, NMR, and HPLC. Purity is confirmed via gas chromatography. As a synthetic intermediate, no enzyme or receptor binding assays are performed.
|
| Cell Assay |
Not applicable. PROTACs synthesized using this linker are tested in cancer cell lines. Cells are treated with PROTACs for 6-48 hours. Target protein degradation is assessed by Western blot, and cellular viability is measured by MTT or CellTiter-Glo assays.
|
| Animal Protocol |
PROTACs are evaluated in xenograft mouse models. Mice with established tumors are treated intraperitoneally or orally with the PROTAC. Tumor volume is measured. Protein degradation and engagement of the ubiquitin-proteasome pathway are confirmed by analyzing tumor lysates.
|
| ADME/Pharmacokinetics |
PK parameters depend on the PROTAC molecule. Alkyl linkers generally improve lipophilicity, potentially enhancing membrane permeability. For the final PROTAC, the linker influences ternary complex formation, degradation efficiency, and overall PK/PD properties.
|
| Toxicity/Toxicokinetics |
Handling requires standard chemical safety precautions for halogenated and combustible liquids (flash point: 101degC). Toxicity of final PROTAC molecules includes potential off-target degradation and accumulation of ubiquitinated proteins.
|
| References |
[1]. Sun D, Nikonova AS, Zhang P, Deneka AY, Fitzgerald ME, Michael RE, Lee L, Lilly AC, Fisher SL, Phillips AJ, Nasveschuk CG, Proia DA, Tu Z, Golemis EA. Evaluation of the Small-molecule BRD4 Degrader CFT-2718 in Small-cell Lung Cancer and Pancreatic Cancer
|
| Additional Infomation |
This compound is a research-grade chemical intermediate specifically for PROTAC synthesis. It is not a drug and has no clinical approval. PROTAC technology remains an area of active drug discovery research.
|
| Molecular Formula |
C6H12BRCL
|
|---|---|
| Molecular Weight |
199.52
|
| Exact Mass |
197.981
|
| CAS # |
6294-17-3
|
| PubChem CID |
80516
|
| Appearance |
Colorless to light yellow liquid（Density：1.337 g/cm3）
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
217.4±8.0 °C at 760 mmHg
|
| Flash Point |
101.1±0.0 °C
|
| Vapour Pressure |
0.2±0.4 mmHg at 25°C
|
| Index of Refraction |
1.470
|
| LogP |
3.49
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
8
|
| Complexity |
39.5
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(CCCBr)CCCl
|
| InChi Key |
JTYUIAOHIYZBPB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
|
| Chemical Name |
1-bromo-6-chlorohexane
|
| 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 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 | 5.0120 mL | 25.0601 mL | 50.1203 mL | |
| 5 mM | 1.0024 mL | 5.0120 mL | 10.0241 mL | |
| 10 mM | 0.5012 mL | 2.5060 mL | 5.0120 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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