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| Targets |
Pomalidomide 4'-alkylC4-acid targets cereblon (CRBN), which is a substrate recognition component of the CUL4-RBX1-DDB1-DCAF E3 ubiquitin ligase complex. Pomalidomide is a well-known immunomodulatory drug (IMiD) that binds to CRBN with high affinity and alters its substrate specificity, leading to the degradation of proteins such as IKZF1 and IKZF3. Pomalidomide 4'-alkylC4-acid retains the pomalidomide moiety as the CRBN-binding ligand, while the C4 alkyl linker and terminal carboxylic acid provide a handle for conjugation to target protein-binding ligands. The compound does not itself induce degradation but serves as a building block for PROTAC synthesis. By conjugating Pomalidomide 4'-alkylC4-acid to a ligand that binds a protein of interest, researchers can create PROTACs that recruit CRBN to the target protein, leading to its ubiquitination and degradation.
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| ln Vitro |
In vitro activity of Pomalidomide 4'-alkylC4-acid is not characterized as a pharmacological agent, as it is a synthetic building block rather than a biologically active compound. Its primary in vitro application is in the chemical synthesis of PROTAC molecules. The compound contains a pomalidomide moiety that binds to CRBN, but the presence of the alkyl linker and carboxylic acid group modifies its properties compared to pomalidomide. The compound is used in chemical conjugation reactions to attach to target protein-binding ligands via amide bond formation or other coupling chemistries. The resulting PROTAC molecules can then be tested in cell-based assays for their ability to induce degradation of target proteins. Pomalidomide 4'-alkylC4-acid itself is not typically evaluated for biological activity, as it is a research tool for PROTAC synthesis.
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| ln Vivo |
In vivo activity is not applicable to Pomalidomide 4'-alkylC4-acid, as the compound is a synthetic building block for PROTAC synthesis rather than a directly administered drug. The compound is not used in animal studies in its native form. Instead, the PROTAC molecules synthesized from Pomalidomide 4'-alkylC4-acid may be evaluated in vivo for their ability to induce target protein degradation and exert therapeutic effects. However, the specific in vivo activity of Pomalidomide 4'-alkylC4-acid itself has not been reported. The compound is intended for research use only and is not intended for human use. Its role is limited to the chemical synthesis of more complex molecules that may have biological activity.
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| Enzyme Assay |
In vitro enzyme or receptor binding assay protocols are not directly applicable to Pomalidomide 4'-alkylC4-acid, as the compound is a synthetic intermediate rather than a pharmacologically active compound. However, the CRBN-binding activity of the pomalidomide moiety could be assessed using binding assays. A standard protocol for assessing CRBN binding would involve surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) using recombinant CRBN protein and the compound as the analyte. Fluorescence polarization assays using fluorescently labeled pomalidomide derivatives and CRBN protein can also be employed. However, these assays are typically performed on the final PROTAC molecules or on pomalidomide itself rather than on the Pomalidomide 4'-alkylC4-acid intermediate. The compound is primarily characterized by analytical techniques such as HPLC, NMR, and mass spectrometry to confirm identity and purity.
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| Cell Assay |
In vitro cell-based assay protocols are not directly applicable to Pomalidomide 4'-alkylC4-acid, as the compound is a synthetic building block rather than a biologically active compound. The compound is not typically tested in cell-based assays in its native form. Instead, the PROTAC molecules synthesized from Pomalidomide 4'-alkylC4-acid are evaluated in cell-based assays for their ability to induce degradation of target proteins. A standard protocol for evaluating PROTAC activity would involve treating cells expressing the target protein with varying concentrations of the PROTAC (typically 0.1 nM to 10 μM) for 4-24 hours, followed by Western blot analysis to assess target protein levels. Cell viability, cell cycle, and apoptosis may also be assessed. However, these assays are performed on the final PROTAC molecules, not on Pomalidomide 4'-alkylC4-acid itself.
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| Animal Protocol |
In vivo animal experimental protocols are not applicable to Pomalidomide 4'-alkylC4-acid, as the compound is a synthetic building block rather than a directly administered drug. The compound is not used in animal studies in its native form. Instead, PROTAC molecules synthesized from Pomalidomide 4'-alkylC4-acid may be evaluated in vivo for their ability to induce target protein degradation and exert therapeutic effects. A hypothetical protocol for evaluating a PROTAC in vivo would involve administering the PROTAC to tumor-bearing mice via oral gavage or intraperitoneal injection at doses determined from preliminary pharmacokinetic and tolerability studies. Endpoints would include tumor growth inhibition, assessment of target protein degradation in tumor tissues by Western blot or immunohistochemistry, and evaluation of pharmacokinetic parameters. However, these studies are performed on the final PROTAC molecules, not on Pomalidomide 4'-alkylC4-acid.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Pomalidomide 4'-alkylC4-acid as a directly administered compound, as it is a synthetic building block rather than a drug. The compound is not intended for in vivo administration, and its PK properties have not been characterized. The compound has a molecular weight of 373.37 and a molecular formula of C18H19N3O6. It should be stored at -20°C. Specific PK parameters such as half-life, Cmax, AUC, bioavailability, volume of distribution, and clearance have not been reported. The compound is intended for research use only and is not intended for human use.
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| References | |
| Additional Infomation |
Pomalidomide 4'-alkylC4-acid (JUN 40485) is a research-grade compound that serves as a functionalized cereblon ligand for PROTAC research and development. It incorporates a pomalidomide-based E3 ligase ligand with an alkylC4 linker and terminal acid for conjugation to a target protein ligand. The compound is used as a building block for the synthesis of PROTAC molecules that induce target protein degradation via the ubiquitin-proteasome pathway. It has not entered clinical trials and is not approved for any therapeutic indication. Its mechanism of action is indirect: when incorporated into PROTAC molecules, it enables recruitment of CRBN E3 ubiquitin ligase to target proteins. The compound is available exclusively for research purposes and is not intended for diagnostic, therapeutic, or human applications.
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| Molecular Formula |
C18H19N3O6
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| Molecular Weight |
373.36
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| Exact Mass |
373.127
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| CAS # |
2225940-48-5
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| PubChem CID |
139331580
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
712.2±60.0 °C at 760 mmHg
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| Flash Point |
384.5±32.9 °C
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| Vapour Pressure |
0.0±2.4 mmHg at 25°C
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| Index of Refraction |
1.652
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| LogP |
0.13
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
27
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| Complexity |
664
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C2C(=CC=CC=2C(N1C1C(NC(CC1)=O)=O)=O)NCCCCC(=O)O
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| InChi Key |
JUPYDAIBDNUUIF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H19N3O6/c22-13-8-7-12(16(25)20-13)21-17(26)10-4-3-5-11(15(10)18(21)27)19-9-2-1-6-14(23)24/h3-5,12,19H,1-2,6-9H2,(H,23,24)(H,20,22,25)
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| Chemical Name |
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 :~125 mg/mL (~334.80 mM; with sonication)
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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 | 2.6784 mL | 13.3919 mL | 26.7838 mL | |
| 5 mM | 0.5357 mL | 2.6784 mL | 5.3568 mL | |
| 10 mM | 0.2678 mL | 1.3392 mL | 2.6784 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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