(7α,17β)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol (7α,17β)-7-[9-(4,4,5,5,5-五氟戊亚磺酰基)壬烷基]雌甾-1,3,5(10)-三烯-3,17-二醇
CAS 129453-61-8 MFCD00903953
化学结构图
SMILES: C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O
化学属性
| Mol. Formula | C32H47F5O3S |
|---|---|
| Mol. Weight | 606.77 |
| Appearance | white to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | (7α,17β)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol |
|---|---|
| Synonym | (7a,17b)-7-[9-[(4,4,5,5,5pentafluoropentyl)Sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol (7a,17b)-7-[9-[(4,4,5,5,5pentafluoropentyl)Sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol Faslodex ICI 182,780 ZD 182780 ZD 9238 ZM 182780 Faslodex Fulvestrant ICI 182,780 ZD 182780 ZD 9238 ZD9238; ZD-9238; ZD 9238; ICI 182780; ICI182780; ICI-182780; ZM182780; ZM 182780; ZM-182780; Fulvestrant ; Faslodex. ZM 182780 |
| MDL Number | MFCD00903953 |
| CAS Number | 129453-61-8 |
| Chemical Name Translation | (7α,17β)-7-[9-(4,4,5,5,5-五氟戊亚磺酰基)壬烷基]雌甾-1,3,5(10)-三烯-3,17-二醇 |
| LabNetwork Molecule ID | LN01288356 |
| Formula | C32H47F5O3S |
| IUPAC Name | (7R,8R,9S,13S,14S,17S)-13-methyl-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| InChIKey | VWUXBMIQPBEWFH-WCCTWKNTSA-N |
| InChI | InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 |
| Canonical SMILES | OC1=CC=C2[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)CC2=C1 |
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分类
- {SNA} Approved Therapeutics/Drug Candidates, AstraZeneca, Bioactive Small Molecule Alphabetical Index, Cytokines, Growth Factors and Hormones, Estrogen, F, Fluorination Ready Pharma-Developed Compounds, Hormones, Steroid Hormones, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
- {SNA} Approved Therapeutics/Drug Candidates, AstraZeneca, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Estrogen, F, Hormones, Steroid Hormones
- Approved Therapeutics/Drug Candidates, AstraZeneca, Bioactive Small Molecules,
产品应用
- Fulvestrant is a synthetic estrogen receptor antagonist. Unlike tamoxifen (which has partial agonist effects) and the aromatase inhibitors (which reduce the estrogen available to tumor cells), fulvestrant binds competitively to estrogen receptors in breast cancer cells, resulting in estrogen receptor deformation and decreased estrogen binding. In vitro studies indicate that fulvestrant reversibly inhibits the growth of tamoxifen-resistant, estrogen-sensitive, human breast cancer cell lines.
相关文献及参考
- Osako, M.K., et al., Estrogen Inhibits Vascular Calcification Via Vascular RANKL System: Common Mechanism Of Osteoporosis And Vascular Calcification. Circ. Res. 107 , 466-75, (2010) 摘要
- Howell, A., et al., ICI 182,780 (Faslodex™): Development of a novel, "pure" antiestrogen. Cancer 89 , 817-825, (2000)
- Wong, J.K., et al., Estrogens and ICI 182,780 (Faslodex™) modulate mitosis and cell death in immature cerebellar neurons via rapid activation of p44/p42 mitogen-activated protein kinase. J. Neurosci. 23 , 4984-4995, (2003) 摘要
- Wakeling, A.E., et al., A potent specific pure antiestrogen with clinical potential. Cancer Res. 51 , 3867-3873, (1991) 摘要
- Wakeling, A.E., and Bowler, J., ICI 182,780, a new antioestrogen with clinical potential. J. Steroid Biochem. Mol. Biol. 43 , 173-177, (1992) 摘要
- Merck 14 ,4284
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