(Rac)-Acolbifene (EM-343; (Rac)-EM-652) is the racemic form of EM652 (estrogen receptor blocker (antagonist)) with anti-estrogenic and estrogenic activity. (Rac)-Acolbifene (EM-343; (Rac)-EM-652) contains piperidine ring and has good pharmacological effects, RBA=380.

Physicochemical Properties

Molecular Formula	C29H31NO4
Molecular Weight	457.56074
Exact Mass	457.225
CAS #	151533-34-5
Related CAS #	Acolbifene;182167-02-8
PubChem CID	9804157
Appearance	Purple to purplish red solid
LogP	5.964
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	34
Complexity	674
Defined Atom Stereocenter Count	0
SMILES	OC1=CC=C(C2=C(C)C3=CC=C(C=C3OC2C2=CC=C(OCCN3CCCCC3)C=C2)O)C=C1
InChi Key	DUYNJNWVGIWJRI-UHFFFAOYSA-N
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
Chemical Name	3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
HS Tariff Code	2934.99.9001
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)

Biological Activity

ln Vitro	(Rac)-Acolbifene (EM-343; (Rac)-EM-652) inhibits T-47D cells, with an IC50 value of 0.110 nM[1].
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].
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.
References	[1]. Synthesis and structure-activity relationships of analogs of EM-652 (acolbifene), a pure selective estrogen receptor modulator. Study of nitrogen substitution.J Enzyme Inhib Med Chem. 2005 Apr;20(2):165-77.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~218.55 mM)

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.