Y134 is a selective and orally bioactive estrogen receptor (ER) modulator (SERM) that displays potent antagonist activity against ERα and ERβ. Y134 is 121.1 times more selective for ERα (Ki=0.09 nM) than ERβ (Ki=11.31 nM). Y134 inhibits estrogen-stimulated proliferation of ER-positive human breast cancer/tumor cells.

Physicochemical Properties

Molecular Formula	C28H28N2O3S
Molecular Weight	472.603
Exact Mass	472.182
Elemental Analysis	C, 71.16; H, 5.97; N, 5.93; O, 10.16; S, 6.78
CAS #	849662-80-2
PubChem CID	11784736
Appearance	Light yellow to yellow solid powder
Density	1.282g/cm3
Boiling Point	722.282ºC at 760 mmHg
Flash Point	390.623ºC
Index of Refraction	1.673
LogP	5.743
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	34
Complexity	681
Defined Atom Stereocenter Count	0
SMILES	OC1C=CC2C(C(C3C=CC(N4CCN(C(C)C)CC4)=CC=3)=O)=C(C3C=CC(O)=CC=3)SC=2C=1
InChi Key	LQEOPHGPHCWOAC-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H28N2O3S/c1-18(2)29-13-15-30(16-14-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)17-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,17-18,31-32H,13-16H2,1-2H3
Chemical Name	[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]methanone
Synonyms	Y-134; Y 134; Y134;
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	Y134 demonstrated strong antagonistic effect against ER in CV-1 cells co-transfected with plasmids expressing ERα or ERβ and estrogen-responsive element-driven luciferase, with IC50 values for ERα and ERβ and for ERβ, respectively. 2.94 nM [1]. Y134 (0.01 nM-10 μM; 6 d) suppresses the growth of ER-expressing breast cancer cells (MCF-7 and T47D) in response to estrogen [1].
ln Vivo	Y134 (1-3 mg/kg/day; orally for 3 days) abolishes E2-induced terminal mammary bud (TEB) growth in ovariectomized rats. Y134 inhibits E2-induced uterine cell proliferation in a dose-dependent manner [1].
Cell Assay	Cell viability assay [1] Cell Types: MCF-7, T47, MDA-MB-231 Cell Tested Concentrations: 0.01 nM-10 μM Incubation Duration: 6 days Experimental Results: Inhibition of estrogen-stimulated MCF-7 and T47D cell proliferation. There was no effect on MDA-MB-231 cells except for some cytotoxicity observed at high concentrations.
Animal Protocol	Animal/Disease Models: 4weeks old female SD (SD (Sprague-Dawley)) rats, underwent ovariectomy [1] Doses: 1, 3 mg/kg Route of Administration: Oral daily for 3 days Experimental Results: Elimination of the effect of E2 in a dose-dependent manner .
References	[1]. Biological activities of a novel selective oestrogen receptor modulator derived from raloxifene (Y134). Br J Pharmacol. 2007 Jan;150(1):19-28.
Additional Infomation	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(4-propan-2-yl-1-piperazinyl)phenyl]methanone is an aromatic ketone.

Solubility Data

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

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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1160 mL	10.5798 mL	21.1595 mL
	5 mM	0.4232 mL	2.1160 mL	4.2319 mL
	10 mM	0.2116 mL	1.0580 mL	2.1160 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.