| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
PD 4'-oxyacetic acid targets cereblon (CRBN), which is a substrate recognition component of the CUL4-RBX1-DDB1-DCAF E3 ubiquitin ligase complex. By binding to CRBN, this molecule can recruit the E3 ligase machinery to a protein of interest when conjugated to a target-binding ligand, leading to the ubiquitination and subsequent degradation of that target protein. The compound is a phenyl dihydrouracil (PD)-based CRBN ligand. It is designed as an alternative to immunomodulatory drug (IMiD)-based ligands, offering improved stability and degradation efficiency.
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| ln Vitro |
In vitro activity of PD 4'-oxyacetic acid is not characterized as a pharmacological agent, as it is a synthetic building block. Its primary in vitro application is in the chemical synthesis of PROTAC molecules. The compound contains a cereblon-binding moiety and a carboxylic acid group for conjugation. The resulting PROTAC molecules can then be tested in cell-based assays for their ability to induce degradation of target proteins. PD 4'-oxyacetic acid itself is not typically evaluated for biological activity.
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| ln Vivo |
In vivo activity is not applicable to PD 4'-oxyacetic acid, as the compound is a synthetic building block for PROTAC synthesis. The PROTAC molecules synthesized from it may be evaluated in vivo, but PD 4'-oxyacetic acid itself is not administered as a drug.
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| Enzyme Assay |
In vitro binding assay protocols for PD 4'-oxyacetic acid would typically involve assessing its binding affinity for cereblon (CRBN). Surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) can be used to measure the binding affinity (Kd). 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 |
PD 4'-oxyacetic acid is not used in cell-based assays. The PROTAC molecules synthesized from it are evaluated in cell-based assays for their ability to degrade target proteins.
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| Animal Protocol |
PD 4'-oxyacetic acid is not used in animal studies. PROTAC molecules synthesized from it may be evaluated in vivo.
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| ADME/Pharmacokinetics |
PD 4'-oxyacetic acid has a molecular weight of 264.23. It is a research chemical and its pharmacokinetic properties are not relevant as it is not a drug.
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| References | |
| Additional Infomation |
PD 4'-oxyacetic acid is a research-grade cereblon ligand used as a building block for PROTAC development. It is not a drug and has no therapeutic applications. 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 for research purposes.
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| Molecular Formula |
C12H12N2O5
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|---|---|
| Molecular Weight |
264.23
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| Exact Mass |
264.074
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| CAS # |
2633633-12-0
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| PubChem CID |
156176341
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| Appearance |
White to off-white solid powder
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| Density |
1.421±0.06 g/cm3(Predicted)
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| LogP |
0.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
19
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| Complexity |
376
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(CC(=O)O)C1C=CC(=CC=1)N1C(NC(CC1)=O)=O
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| InChi Key |
QZLQKDIAPJHBAU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H12N2O5/c15-10-5-6-14(12(18)13-10)8-1-3-9(4-2-8)19-7-11(16)17/h1-4H,5-7H2,(H,16,17)(H,13,15,18)
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| Chemical Name |
2-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetic 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 |
| 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) |
Typically soluble in DMSO (e.g. 10 mM)
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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 | 3.7846 mL | 18.9229 mL | 37.8458 mL | |
| 5 mM | 0.7569 mL | 3.7846 mL | 7.5692 mL | |
| 10 mM | 0.3785 mL | 1.8923 mL | 3.7846 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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