CAS Number128607-22-7
Synonyms2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)ethanol; FC-1271a; Z-2-(4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanol; UNII-B0P231ILBK; Ophena; Osphena; 2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}ethanol; Deamino-hydroxytoremifene; ospemifene; Fc-1271
Molecular FormulaC24H23ClO2
Molecular Weight378.891
Density1.166±0.06 g/cm3
Boiling Point544.6±50.0 °C at 760 mmHg
Appearancepowder,white to beige
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 128607-22-7 |
| Catalog No. | 2A-2175097 |
| Chinese Name | 奥培米芬 |
| Synonyms | 2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)ethanol; FC-1271a; Z-2-(4-(4-chloro-1,2-diphenyl-but-1-enyl)phenoxy)ethanol; UNII-B0P231ILBK; Ophena; Osphena; 2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}ethanol; Deamino-hydroxytoremifene; ospemifene; Fc-1271 |
| Molecular Formula | C24H23ClO2 |
| Molecular Weight | 378.891 |
| Density | 1.166±0.06 g/cm3 |
| Boiling Point | 544.6±50.0 °C at 760 mmHg |
| Appearance | powder,white to beige |
| Water Solubility | Insuluble (6.4E-3 g/L) (25 ºC) |
| Storage Condition | 2-8°C |
| Application | Ospemifene is a drug that selectively prevents osteoporosis caused by declining estrogen levels after menopause. The IC50 values of ERα and ERβ are 827nM and 1633 nM respectively. |
| SMILES | OCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23- |
| InChI Key | LUMKNAVTFCDUIE-VHXPQNKSSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/175509_2_128607_22_7.pdf |
| Bioactivity | Ospemifene is a selective estrogen for the prevention of postmenopausal osteoporosis with IC50 values of 827nM and 1633nM for ERα and ERβ, respectively. target: ERα and ERβIC50:827 and 1633 nm for ERα and -β, respectively[1] IN vitro: The estrogen-dependent MCF-7 human breast cancer cells were used as a model for studies on the effects of Ospemifene on breast cancer cells. The addition of the compound at concentrations of 0.1 nm to 10 μm did not cause a significant increase in MCF-7 cell growth in vitro when studied by measuring ATP or 3-[4,5-dimethylthiazol-2-yl]2,5-diphenyltetrazolium bromide levels, cell numbers, and rate of [3H]thymidine incorporation during a 7-day culture period. On the other hand, the compound did not inhibit the growth stimulation caused by 1 nm estradiol, except at a concentration 10 mm by only 30%. Similar results were obtained with ZR 75-1 cells, another estrogen-dependent human breast cancer cell line. The cytotoxicity of FC1271a at high concentrations was therefore markedly lower than that for TAM, TOR, or RAL.[1]In ER+ MCF-7 cells, TOR VI and FC-1271a exhibited anti-estrogenic activity. The anti-estrogenic effects of these compounds were less potent as anti-estrogens when compared with TOR and RAL.[2]"In vivo: In the DMBA rat mammary carcinoma model, Ospemifene showed a clear antitumor effect that seemed to be caused primarily by a decrease in the appearance of new tumors but also by a retardation of tumor progression without stimulating the growth of human breast cancer cells.[1]Tumor growth was shown to be inhibited at these doses, indicating anti-estrogenic activity at all doses including 50 and 100 mg/kg Ospemifene. By the end of treatment, MCF-7 tumors in Ospemifene treated mice were statistically smaller compared with control tumors.[2] Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer References [1]. Qiang Qv.et al.Selective estrogenic effects of a novel triphenylethylene compound, FC1271a, on bone, cholesterol level, and reproductive tissues in intact and ovariectomized rats. Endocrinology.Feb;141(2):809-20. 25. (2000). [2]. Tracy L. Taras et al.In vitro and in vivo biologic effects of Ospemifene (FC-1271a) in breast cancer. The Journal of Steroid Biochemistry and Molecular Biology 77(4-5):271-9,(2001). Chemical & Physical Properties Density 1.166±0.06 g/cm3 Boiling Point 544.6±50.0 °C at 760 mmHg Molecular Formula C24H23ClO2 Molecular Weight 378.891 Flash Point 283.2±30.1 °C Exact Mass 378.138672 PSA 29.46000 LogP 6.98 Appearance of Characters powder,white to beige Vapour Pressure 0.0±1.5 mmHg at 25°C Index of Refraction 1.608 InChIKey LUMKNAVTFCDUIE-VHXPQNKSSA-N SMILES OCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1 Storage condition 2-8°C Water Solubility Insuluble (6.4E-3 g/L) (25 ºC) |
| Use of | Properties Name 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol Synonym More Synonyms ospemifene Biological Activity Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer References [1]. Qiang Qv.et al.Selective estrogenic effects of a novel triphenylethylene compound, FC1271a, on bone, cholesterol level, and reproductive tissues in intact and ovariectomized rats. Endocrinology.Feb;141(2):809-20. 25. (2000). [2]. Tracy L. Taras et al.In vitro and in vivo biologic effects of Ospemifene (FC-1271a) in breast cancer. The Journal of Steroid Biochemistry and Molecular Biology 77(4-5):271-9,(2001). Chemical & Physical Properties Exact Mass 378.138672 PSA 29.46000 Appearance of Characters powder,white to beige Index of Refraction 1.608 InChIKey LUMKNAVTFCDUIE-VHXPQNKSSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Ospemifene) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Ospemifene) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Ospemifene) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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