| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
ER (Estrogen Receptor).
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|---|---|
| ln Vitro |
As a target protein ligand fragment, AZD9496 deacrylic acid phenol itself does not induce degradation; it only binds to the estrogen receptor. The complete PROTAC ER Degrader-4, which incorporates this fragment conjugated to an E3 ligase ligand via a linker, can recruit an E3 ubiquitin ligase to the estrogen receptor, leading to its ubiquitination and subsequent proteasomal degradation. The phenolic group may be important for hydrogen bonding interactions within the ER ligand binding domain.
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| ln Vivo |
No specific in vivo activity has been reported for this fragment alone; its activity is derived from the complete PROTAC ER Degrader-4 molecule after conjugation with appropriate linkers and an E3 ligase ligand. The in vivo efficacy of the complete PROTAC would be evaluated in estrogen receptor-positive breast cancer xenograft models.
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| Enzyme Assay |
N/A; this compound is not assessed in isolated enzyme/receptor binding assays as a standalone agent. Its binding affinity to the estrogen receptor is typically determined using biochemical assays such as fluorescence polarization (FP) or surface plasmon resonance (SPR) as part of the validation of the complete PROTAC construct.
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| Cell Assay |
N/A; this compound is not tested in cell-based assays as a standalone agent but is used as a building block for constructing PROTACs. In a typical cellular assay for a complete PROTAC, estrogen receptor-positive breast cancer cells (e.g., MCF-7) are treated with the PROTAC molecule for 4-24 hours, after which ER protein levels are measured by Western blotting to determine the DC50 (half-maximal degradation concentration).
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| Animal Protocol |
N/A; no animal studies are performed with this fragment alone. In vivo efficacy studies for a complete PROTAC ER degrader would typically be conducted in mouse xenograft models of estrogen receptor-positive breast cancer. The compound would be formulated in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline) and administered via intraperitoneal (IP) or intravenous (IV) injection. Tumor growth inhibition and ER degradation in tumor tissue would be monitored.
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| ADME/Pharmacokinetics |
The compound has a molecular weight of 388.43, a molecular formula of C22H23F3N2O, and a purity of ≥98% (HPLC). It appears as a light yellow to yellow solid powder. It is soluble in DMSO and is typically stored at -20degC, stored under nitrogen, protected from light. For long-term storage, it should be kept as a powder at -20degC for up to 3 years. In solution, it can be stored at -80degC for 6 months or at -20degC for 1 month, protected from light.
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| Toxicity/Toxicokinetics |
This product is for research use only and is not intended for human or clinical use. Standard chemical safety precautions should be observed during handling. The compound has not been fully validated for medical applications. It is a research chemical for PROTAC development and is not an approved therapeutic drug.
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| References | |
| Additional Infomation |
AZD9496 deacrylic acid phenol is derived from AZD9496, a clinical-stage oral selective estrogen receptor degrader (SERD) developed by AstraZeneca for the treatment of ER-positive breast cancer. The deacrylic acid modification removes the acrylic acid side chain present in AZD9496, converting the full SERD into a PROTAC-amenable warhead. This fragment enables the design of heterobifunctional molecules that degrade ER via the proteasome rather than merely antagonizing it, potentially overcoming resistance to conventional endocrine therapies.
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| Molecular Formula |
C22H23F3N2O
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|---|---|
| Molecular Weight |
388.426036119461
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| Exact Mass |
388.176
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| CAS # |
2173404-70-9
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| PubChem CID |
134199573
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.9
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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 |
3
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| Heavy Atom Count |
28
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| Complexity |
550
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)O)F)NC4=CC=CC=C24
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| InChi Key |
UQFNAXIUJPIITK-XUSGNXJCSA-N
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| InChi Code |
InChI=1S/C22H23F3N2O/c1-12-8-15-14-6-4-5-7-18(14)26-20(15)21(27(12)11-22(2,3)25)19-16(23)9-13(28)10-17(19)24/h4-7,9-10,12,21,26,28H,8,11H2,1-3H3/t12-,21-/m1/s1
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| Chemical Name |
3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenol
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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. |
| 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 | 2.5745 mL | 12.8723 mL | 25.7447 mL | |
| 5 mM | 0.5149 mL | 2.5745 mL | 5.1489 mL | |
| 10 mM | 0.2574 mL | 1.2872 mL | 2.5745 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.
Products are for research use only; We do not sell to patients
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