| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
ERα (IC50 = 2 nM); ERβ (IC50 =0.4 nM)
Acolbifene targets estrogen receptors (ER), specifically ERα and ERβ. It acts as a selective estrogen receptor modulator (SERM). It has an IC₅₀ of 22±3 nM for estradiol-induced transcriptional activity. It shows IC₅₀ values of 2 nM and 0.4 nM for ERα and ERβ, respectively. It is one of the most potent known antiestrogens. |
|---|---|
| ln Vitro |
Acolbifene (ACOL) does not alter the pathways through which cholesterol is synthesised, indicating that its hypocholesterolemic action is mediated by clearance-related receptors[2].
Acolbifene (EM-652) exhibits no agonistic activity on the transcriptional function of ERα and ERβ and inhibits the activation of both ERα and ERβ mediated by estradiol (E2)[3]. Acolbifene (EM-652) is devoid of intrinsic estrogenic activity and exhibits the strongest suppression of estradiol-stimulated cell proliferation in human breast cancer cells (ZR-75-1, MCF-7, T-47D)[4]. In vitro, Acolbifene potently inhibits estradiol-induced transcriptional activity of ERα and ERβ with IC₅₀ values of 2 nM and 0.4 nM, respectively. It binds to estrogen receptors and blocks the effects of estrogen. It demonstrates high potency as an antiestrogen. |
| ln Vivo |
Acolbifene (ACOL) decreases food consumption and dramatically lowers cholesterol in rats given a cholesterol-free diet[2].
Acolbifene (ACOL) decreases food consumption (16%) and weight gain (45%, mostly fat) in both dietary cohorts in a comparable way[2]. In vivo, Acolbifene is being studied for the prevention of breast cancer in women at high risk. As a SERM, it exerts anti-estrogenic effects in the breast while potentially having estrogenic effects in other tissues. It has been investigated in clinical trials for breast cancer prevention. |
| Enzyme Assay |
The in vitro receptor binding assay for Acolbifene involves competition binding experiments using radiolabeled estradiol. Membranes from cells expressing ERα or ERβ are incubated with varying concentrations of Acolbifene and a fixed concentration of radioligand. IC₅₀ values are calculated.
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| Cell Assay |
In vitro cell-based assays for Acolbifene are performed using ER-positive breast cancer cell lines. Cells are treated with Acolbifene, and estrogen-induced gene expression is measured. Cell proliferation assays are conducted to assess the compound's anti-estrogenic effects. Transcriptional activity assays are performed using reporter constructs.
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| Animal Protocol |
Female Sprague-Dawley rats (n = 42) initially weighing 175-200 g[2].
2.5 mg/kg. Oral gavage, once daily for 21 d. In vivo animal experiments for Acolbifene have been conducted in models of breast cancer. Animals are administered the compound orally or via other routes, and tumor growth inhibition is measured. The compound's effects on estrogen-sensitive tissues such as the uterus and bone are also assessed. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Acolbifene have been characterized in preclinical species. It achieves sufficient plasma concentrations to exert its pharmacological effects. Detailed PK parameters such as half-life, clearance, and oral bioavailability are determined from plasma concentration-time profiles.
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| Toxicity/Toxicokinetics |
In clinical studies, Acolbifene was generally well-tolerated with an acceptable safety profile. Standard toxicology assessments were conducted to support clinical development. The compound has been evaluated in clinical trials for breast cancer prevention.
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| References |
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| Additional Infomation |
Acolbifene is being studied in the clinical trial NCT01452373 (dehydroepiandrosterone (DHEA) + Acolbifene for the treatment of vasomotor symptoms (hot flashes) in postmenopausal women).
Acolbifene (EM 652) and its prodrug EM-800 (SCH 57050) are among the most potent known antiestrogens. It is a SERM that has been studied for the prevention of breast cancer in high-risk women. It has not been approved for clinical use. |
| Molecular Formula |
C29H31NO4
|
|---|---|
| Molecular Weight |
457.561
|
| Exact Mass |
457.23
|
| Elemental Analysis |
C, 76.12; H, 6.83; N, 3.06; O, 13.99
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| CAS # |
182167-02-8
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| Related CAS # |
Acolbifene hydrochloride;252555-01-4;(Rac)-Acolbifene;151533-34-5
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| PubChem CID |
155435
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| Appearance |
Yellow solid powder
|
| Boiling Point |
651.5ºC at 760mmHg
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| Flash Point |
347.8ºC
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| LogP |
6.766
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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 |
1
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| SMILES |
OC1=CC=C2C(C)=C(C3=CC=C(O)C=C3)[C@H](C4=CC=C(OCCN5CCCCC5)C=C4)OC2=C1
|
| InChi Key |
DUYNJNWVGIWJRI-LJAQVGFWSA-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/t29-/m0/s1
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| Chemical Name |
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
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| Synonyms |
EM 652; EM652; EM-652; SCH-57068; SCH 57068; SCH57068
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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: ~50 mg/mL (~109.3 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 | 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT05941520 | Not yet recruiting | Drug: Tamoxifen Procedure: Mammography |
Breast Atypical Hyperplasia Breast Carcinoma |
National Cancer Institute (NCI) |
October 1, 2023 | Phase 2 |
| NCT01452373 | Completed | Drug: Placebo Drug: DHEA and Acolbifene |
Vasomotor Symptoms Hot Flushes |
EndoCeutics Inc. | October 2011 | Phase 3 |
| NCT00853996 | Completed | Drug: acolbifene hydrochloride | Breast Cancer | University of Kansas Medical Center | February 2009 | Phase 2 |
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