| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
EED[1]
EED (Embryonic Ectoderm Development), a core component of PRC2. |
|---|---|
| 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. PROTACs target and selectively degrade target proteins by taking advantage of the intracellular ubiquitin-proteasome system.
As an EED-binding ligand, EED226-COOH itself has no intrinsic degradation activity; its function is to bind to EED when incorporated into a PROTAC molecule. When conjugated to a VHL ligand via a linker, the resulting PROTAC (UNC6852) can recruit the VHL E3 ubiquitin ligase to EED, leading to ubiquitination and degradation of PRC2 components. |
| ln Vivo |
No specific in vivo activity has been reported for this ligand alone; its in vivo degradation activity is observed only when conjugated to a VHL ligand via a linker to form the complete PROTAC UNC6852, which is expected to degrade PRC2 in vivo.
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| Enzyme Assay |
N/A; as a target protein ligand, its binding affinity to EED is typically determined using biophysical methods such as surface plasmon resonance (SPR) or fluorescence polarization (FP) as part of the validation of the final PROTAC construct. The compound is used as a synthetic intermediate.
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| Cell Assay |
N/A; this ligand is not tested alone in cell-based assays but is used as a building block for constructing PROTACs. In a typical procedure, the carboxylic acid is conjugated to a linker, which is then conjugated to a VHL ligand. The resulting PROTAC (UNC6852) is tested in PRC2-expressing cells for degradation activity.
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| Animal Protocol |
N/A; no animal studies are performed with the ligand alone. In vivo efficacy studies for UNC6852 would be conducted in mouse xenograft models of PRC2-driven cancers, evaluating tumor growth inhibition and PRC2 degradation in tumor tissue.
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| ADME/Pharmacokinetics |
This compound has a molecular weight of 335.32, a molecular formula of C17H13N5O3, and appears as an off-white to light yellow solid powder. It is typically stored as a powder at -20degC for up to 3 years or in a solvent at -80degC for 2 years. It is soluble in DMSO (125 mg/mL). The product should be protected from light.
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| Toxicity/Toxicokinetics |
This product is for research use only and is not for human therapeutic or clinical applications. Standard chemical safety precautions should be followed during handling. The product has not been fully validated for medical applications.
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| References | |
| Additional Infomation |
PRC2 is a histone methyltransferase complex that plays a critical role in gene silencing and is frequently dysregulated in cancer, including lymphoma and solid tumors. EED226-COOH is the key building block for UNC6852, a first-in-class PRC2 degrader that offers a new strategy for targeting PRC2-driven cancers by degrading the complex rather than merely inhibiting its catalytic activity.
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| Molecular Formula |
C17H13N5O3
|
|---|---|
| Molecular Weight |
335.32
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| Exact Mass |
335.101
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| CAS # |
2467965-71-3
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| PubChem CID |
146047129
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.50±0.1 g/cm3(Predicted)
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
471
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C([H])=C([H])C([H])=C1C([H])([H])N([H])C1=NC([H])=C(C2C([H])=C([H])C(C(=O)O[H])=C([H])C=2[H])C2=NN=C([H])N21
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| InChi Key |
MTAJESLOWNUVMU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H13N5O3/c23-16(24)12-5-3-11(4-6-12)14-9-19-17(22-10-20-21-15(14)22)18-8-13-2-1-7-25-13/h1-7,9-10H,8H2,(H,18,19)(H,23,24)
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| Chemical Name |
4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoic 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) |
DMSO :~125 mg/mL (~372.78 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.20 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.20 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.20 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9822 mL | 14.9111 mL | 29.8223 mL | |
| 5 mM | 0.5964 mL | 2.9822 mL | 5.9645 mL | |
| 10 mM | 0.2982 mL | 1.4911 mL | 2.9822 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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