| Size | Price | Stock | Qty |
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| Targets |
(Rac)-Acolbifene primarily targets estrogen receptors (ERs), including ERα and ERβ. It acts as an estrogen receptor antagonist with a relative binding affinity (RBA) of 380. The compound exhibits both anti-estrogenic and estrogenic activities, depending on the context. As a racemic mixture, it contains both enantiomers of EM-652. By binding to estrogen receptors, (Rac)-Acolbifene modulates ER-mediated signaling, making it a valuable tool for studying estrogen receptor biology and hormone-responsive conditions such as breast cancer.
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| ln Vitro |
(Rac)-Acolbifene (EM-343; (Rac)-EM-652) inhibits T-47D cells, with an IC50 value of 0.110 nM[1].
In vitro, (Rac)-Acolbifene inhibits proliferation of T-47D breast cancer cells with an IC50 of 0.110 nM. It acts as an estrogen receptor antagonist with a relative binding affinity (RBA) of 380. The compound exhibits both anti-estrogenic and estrogenic activities. Its activity is typically evaluated using cell proliferation assays in estrogen receptor-positive breast cancer cell lines. Receptor binding assays are performed to determine binding affinity and selectivity for ERα and ERβ. |
| ln Vivo |
(Rac)-Acolbifene (orally administered; 7.5 nM, 75 nM; 9 days; once daily) had a positive pharmacological profile in ovariectomized mice, demonstrating 63% and 84% at the 7.5 and 75 nM dosages, respectively. Anti-uterotrophic inhibitory action (PK investigation, ovariectomized mice) [1].
In vivo, (Rac)-Acolbifene has been studied for its effects on estrogen receptor signaling. In ovariectomized mice, oral administration of (Rac)-Acolbifene (7.5-75 nM daily for 9 days) produced 63% and 84% antiuterotrophic inhibition, respectively. The compound has shown potent antiestrogenic activity in breast cancer models and prevents bone loss in animal models of osteoporosis. Its in vivo efficacy has been demonstrated in models of breast cancer and osteoporosis. |
| Enzyme Assay |
Cell-free assays for (Rac)-Acolbifene involve evaluating its binding affinity to estrogen receptors. Radioligand binding assays are performed using purified ERα or ERβ protein. (Rac)-Acolbifene is incubated with ER protein and a radiolabeled estrogen receptor ligand. Competition binding experiments determine relative binding affinity (RBA = 380). Selectivity for ERα versus ERβ is assessed. Chemical purity and identity are confirmed by HPLC and NMR analysis. The compound is typically dissolved in DMSO for assay preparation.
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| Cell Assay |
Cell viability assay [1]
Cell Types: T-47D Cell Tested Concentrations: 0.110 nM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibition of T-47D cell growth. In vitro cellular assays for (Rac)-Acolbifene typically involve treating estrogen receptor-positive breast cancer cells (e.g., T-47D) with various concentrations of the compound. Cells are incubated for defined periods (3-7 days). Cell proliferation is assessed using MTT, CellTiter-Glo, or direct cell counting. IC50 values (0.110 nM) are determined from dose-response curves. Estrogen-responsive reporter gene assays are used to assess ER-mediated transcriptional activity. Cytotoxicity is evaluated using standard cell viability assays. |
| Animal Protocol |
In vivo animal studies for (Rac)-Acolbifene are conducted in ovariectomized mouse models. The compound is administered orally at doses of 7.5-75 nM daily for 9 days. Uterine weight is measured as a marker of estrogenic activity. Antiuterotrophic inhibition (63% and 84% at respective doses) is calculated. Bone loss prevention is assessed in models of osteoporosis. Pharmacodynamic endpoints include assessment of ER target gene expression in tissues. Efficacy is evaluated by comparing outcomes between treatment and control groups.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of (Rac)-Acolbifene include a molecular weight of 399.48 g/mol (approximate) and molecular formula C25H25NO4 (approximate). The compound is orally bioavailable. As a small molecule, it is expected to have good oral bioavailability and tissue penetration. Detailed ADME parameters such as half-life, Cmax, and AUC are not extensively reported in the available literature. The compound is typically stored at appropriate conditions as a research reagent.
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| Toxicity/Toxicokinetics |
The toxicity profile of (Rac)-Acolbifene has been characterized in preclinical studies. As an estrogen receptor modulator, potential toxicities may include effects on reproductive tissues and hormone-dependent organs. The compound has shown potent antiestrogenic activity in breast cancer models and prevents bone loss. Standard toxicology studies would include acute and sub-chronic toxicity assessments. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
(Rac)-Acolbifene (EM-343) is the racemic form of Acolbifene, an estrogen receptor antagonist with a relative binding affinity of 380. It inhibits T-47D breast cancer cell proliferation with an IC50 of 0.110 nM. In ovariectomized mice, oral administration (7.5-75 nM) produced 63-84% antiuterotrophic inhibition. (Rac)-Acolbifene is a research tool for studying estrogen receptor biology, breast cancer, and osteoporosis.
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| Molecular Formula |
C29H31NO4
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| Molecular Weight |
457.56074
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| Exact Mass |
457.225
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| CAS # |
151533-34-5
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| Related CAS # |
Acolbifene;182167-02-8
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| PubChem CID |
9804157
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| Appearance |
Purple to purplish red solid
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| LogP |
5.964
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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 |
6
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| Heavy Atom Count |
34
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| Complexity |
674
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC1=CC=C(C2=C(C)C3=CC=C(C=C3OC2C2=CC=C(OCCN3CCCCC3)C=C2)O)C=C1
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| InChi Key |
DUYNJNWVGIWJRI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3
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| Chemical Name |
3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
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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 : ~100 mg/mL (~218.55 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.46 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 25.0 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: 2.5 mg/mL (5.46 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1855 mL | 10.9275 mL | 21.8551 mL | |
| 5 mM | 0.4371 mL | 2.1855 mL | 4.3710 mL | |
| 10 mM | 0.2186 mL | 1.0928 mL | 2.1855 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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