| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
Mal-C6-amine TFA salt does not have a specific biological target itself; rather, it is a chemical building block. Its "target" is the functional groups present on biomolecules, specifically thiol groups (from cysteine residues in proteins) and primary amine groups (from lysine residues or N-termini). The maleimide group provides a site for selective conjugation to thiol-containing molecules, while the amine group offers a handle for further derivatization with carboxylic acids or activated esters. This dual functionality allows it to act as a bridge, linking two different molecules together. In the context of PROTACs, this linker connects a ligand for an E3 ubiquitin ligase to a ligand for a target protein, enabling the targeted degradation of the protein of interest.
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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].
Mal-C6-amine TFA salt itself does not exhibit direct biological or pharmacological activity in vitro. Its activity is measured by its chemical functionality and efficiency in bioconjugation reactions. It is characterized by its ability to react with thiol groups under mild conditions (pH 6.5-7.5) to form stable thioether bonds. Its purity is typically high (≥97%), and its solubility in various solvents is a key parameter for its use in synthesis. As a PROTAC linker, its in vitro activity is assessed indirectly through the performance of the complete PROTAC molecule, which is evaluated for its ability to degrade target proteins in cell-based assays. |
| ln Vivo |
In vivo, Mal-C6-amine TFA salt is not administered as a therapeutic agent. Its in vivo behavior is only relevant when it is incorporated into a complete bioconjugate, such as a PROTAC or ADC. In these contexts, the properties of the linker, such as its stability, hydrophobicity, and length, influence the pharmacokinetics and pharmacodynamics of the final construct. The non-cleavable nature of the C6 alkyl chain suggests that the linker is designed for stability, ensuring the conjugate remains intact until it reaches its target. However, its in vivo activity is not evaluated directly; instead, the efficacy of the conjugated molecule is studied.
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| Enzyme Assay |
In vitro "enzyme/receptor binding" studies are not applicable to Mal-C6-amine TFA salt, as it is not a drug that binds to enzymes or receptors. Standard characterization for this linker involves chemical analysis to confirm its structure and purity. Techniques such as Nuclear Magnetic Resonance (NMR) and High-Performance Liquid Chromatography (HPLC) are used to verify its identity and purity (>97%). Its reactivity is confirmed through conjugation efficiency assays, where the linker is reacted with model thiol- and amine-containing compounds, and the formation of the desired product is monitored.
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| Cell Assay |
In vitro cellular assays are not performed with Mal-C6-amine TFA salt as a standalone compound, as it lacks intrinsic biological activity. However, when incorporated into a PROTAC, its performance is evaluated in cellular assays. Typical protocols involve treating cultured cancer cells with the complete PROTAC molecule. The key readouts are the levels of the target protein, measured by Western blotting, and the resulting effects on cell viability, assessed by assays such as MTT or CellTiter-Glo. The linker's role is crucial, as its length and composition can affect the PROTAC's cellular uptake and efficacy.
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| Animal Protocol |
In vivo animal studies are not conducted with Mal-C6-amine TFA salt alone. When used in a PROTAC or ADC, the complete conjugate is studied in animal models, such as xenograft mouse models for oncology research. Tumor-bearing mice are treated with the conjugate, and endpoints include tumor volume measurement, survival analysis, and pharmacodynamic assessment of target engagement and degradation in tumor tissues. The linker's stability and properties are critical for the overall pharmacokinetic profile and therapeutic efficacy of the conjugate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Mal-C6-amine TFA salt are not characterized as a therapeutic agent. However, its physicochemical properties, such as its molecular weight (310.27 g/mol), lipophilicity, and the presence of the TFA salt, are important for its handling and use as a reagent. For storage, the compound is typically kept as a powder at -20°C for up to 3 years to maintain stability. Its solubility in DMSO and other organic solvents is a key property for its application in chemical synthesis.
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| Toxicity/Toxicokinetics |
Mal-C6-amine TFA salt is a research chemical and is not intended for human therapeutic use. Standard safety data for this compound are limited. However, as a chemical reagent, it should be handled with appropriate laboratory safety precautions, including the use of personal protective equipment. Toxicity studies are not typically conducted for such linkers, as they are not administered to living organisms.
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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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| Additional Infomation |
Mal-C6-amine TFA salt is a research-use-only chemical building block classified as an alkyl chain-based PROTAC linker. Its CAS number is 731862-92-3. It is also known by synonyms such as 1-(6-Aminohexyl)-1H-pyrrole-2,5-dione 2,2,2-trifluoroacetate and N-(6-Aminohexyl)maleimide trifluoroacetate salt. It is a fundamental tool in the field of targeted protein degradation and bioconjugation. It is not approved for clinical use and has no established therapeutic indications.
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| Molecular Formula |
C12H17F3N2O4
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| Molecular Weight |
310.2696
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| Exact Mass |
310.114
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| CAS # |
731862-92-3
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| PubChem CID |
57383514
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
1.702
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
21
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| Complexity |
314
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C(=O)O[H])(F)F.O=C1C([H])=C([H])C(N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])=O
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| InChi Key |
RBQIUIPYPXTLRY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H16N2O2.C2HF3O2/c11-7-3-1-2-4-8-12-9(13)5-6-10(12)14;3-2(4,5)1(6)7/h5-6H,1-4,7-8,11H2;(H,6,7)
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| Chemical Name |
1-(6-aminohexyl)pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
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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 and light. |
| 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 | 3.2230 mL | 16.1150 mL | 32.2300 mL | |
| 5 mM | 0.6446 mL | 3.2230 mL | 6.4460 mL | |
| 10 mM | 0.3223 mL | 1.6115 mL | 3.2230 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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