(E)-4-羟基托瑞米芬 | 177748-22-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: (E)-4-羟基托瑞米芬
• 英文名称: (E)-4-Hydroxytoremifene
• 英文别名: 4-chloro-1-(4-hydroxyphenyl)-1-[4-[2-(N,N-dimethylamino) ethoxy]phenyl]-2-phenyl-1-butene；4-chloro-1-(4-hydroxyphenyl)-1-[4-[2-(N,N-dimethylamino)ethoxy]-phenyl]-2-phenyl-1-butene；4-chloro-1-(4-hydroxyphenyl)-1-[4-[2-(N,N-dimethylamino]ethoxy]-phenyl]-2-phenyl-1-butene；4-chloro-1-(4-hydroxyphenyl)-1-[4-[2-(N,N-dimethylamino)ethoxy]phenyl]-2-phenyl-1-butene；4-[(E)-4-chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
• CAS: 177748-22-0
• 化学式: C₂₆H₂₈ClNO₂
• 分子量: 421.967
• InChiKey: OIUCUUXSMIJSEB-OCEACIFDSA-N

物化性质

• 沸点：
  567.7±50.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少量）、甲醇（轻微加热）

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4,4'-二羟基二苯甲酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 四氯化钛 、 caesium carbonate 、 锌 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 (E)-4-羟基托瑞米芬
  参考文献：
  名称：

  通过McMurry反应的新的高立体选择性合成（Z）-4-羟基他莫昔芬和（Z）-4-羟基toremifene。

  摘要：

  DOI：

  10.1021/jo952279l

文献信息

• Treatment of prostate cancer
  申请人：——

  公开号：US20030171334A1

  公开（公告）日：2003-09-11

  A chemical agent of the diterpene family obtained from a member of the Euphorbiaceae family of plants for use in the treatment of prophylaxis of prostate cancer or a related cancer or condition.

  一种从大戟科植物中提取的二萜家族的化学药剂，用于预防或治疗前列腺癌或相关癌症或疾病。
• Toremifene or demethyltoremifene as hydroxytoremifene for the reversal of multidrug restistance of cancer cells against cytotoxic drugs
  申请人：ORION-YHTYMÄ OY

  公开号：EP0415623A2

  公开（公告）日：1991-03-06

  A compound comprising toremifene or its metabolite N-demethyltoremifene or 4-hydroxytoremifene, or a non-toxic pharmaceutically acceptable salt thereof may be used for the reversal of multidrug resistance of cancer cells to cytotoxic drugs in the treatment of cancer with at least one cytotoxic drug.

  由托瑞米芬或其代谢物 N-去甲基托瑞米芬或 4-羟基托瑞米芬或其无毒药学上可接受的盐组成的化合物可用于在使用至少一种细胞毒性药物治疗癌症时逆转癌细胞对细胞毒性药物的多药耐药性。
• A method for chemoprevention of prostate cancer
  申请人：THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION

  公开号：EP2277514A1

  公开（公告）日：2011-01-26

  The invention relates to the chemoprevention of prostate cancer and, more particularly, provides a chemopreventive agent, e.g. toremifene citrate, for use in treating prostate intraepithelial neoplasia (PIN), especially high grade prostate intraepithelial neoplasia (HGPIN).

  本发明涉及前列腺癌的化学预防，尤其是提供了一种用于治疗前列腺上皮内瘤变（PIN），特别是高级别前列腺上皮内瘤变（HGPIN）的化学预防剂，如枸橼酸托瑞米芬。
• Method for treatment and chemoprevention of prostate cancer
  申请人：——

  公开号：US20040092602A1

  公开（公告）日：2004-05-13

  This invention relates to methods of treating a subject with pre-malignant lesions of prostate cancer; and methods of suppressing, inhibiting or reducing the incidence of pre-malignant lesions of prostate cancer.

  本发明涉及治疗前列腺癌前期恶性病变受试者的方法；以及抑制、抑制或降低前列腺癌前期恶性病变发病率的方法。
• Compositions comprising 5-alpha reductase inhibitors and SERMs and methods of use thereof
  申请人：Steiner S. Mitchell

  公开号：US20060019989A1

  公开（公告）日：2006-01-26

  This invention provides for combinations of 5 alpha reductase inhibitors and SERMs. These combinations are useful in: 1) preventing prostate carcinogenesis in a subject; 2) preventing the recurrence of, suppressing, inhibiting or reducing the incidence of prostate carcinogenesis in a subject; 3) treating a subject with prostate cancer; 4) suppressing, inhibiting or reducing the incidence of prostate cancer in a subject; 5) treating a subject with pre-malignant lesions of prostate cancer; 6) suppressing, inhibiting or reducing the incidence of pre-malignant lesions of prostate cancer in a subject; 7) reducing the incidence, inhibiting, suppressing, preventing and/or treating androgen-deprivation induced conditions in men suffering from prostate cancer, such as androgen-deprivation induced osteoporosis, bone fractures, loss of bone mineral density (BMD), hot flashes and/or gynecomastia; and 8) treating polycystic ovarian syndrome and reducing the incidence, inhibiting, suppressing, preventing and/or treating diabetes, cardiovascular disease, breast cancer and endometrial cancer in women suffering from polycystic ovarian syndrome.

  本发明提供了 5 α 还原酶抑制剂和 SERMs 的组合。这些组合物可用于1）预防受试者前列腺癌的发生；2）预防受试者前列腺癌的复发，抑制、抑制或降低前列腺癌的发病率；3）治疗前列腺癌患者；4）抑制、抑制或降低受试者前列腺癌的发病率；5）治疗前列腺癌恶性前病变的受试者；6）抑制、抑制或降低受试者前列腺癌恶性前病变的发病率；7）减少、抑制、抑制、预防和/或治疗患有前列腺癌的男性的雄激素剥夺诱发症，如雄激素剥夺诱发的骨质疏松症、骨折、骨矿物质密度（BMD）损失、潮热和/或妇科炎症；以及 8）治疗多囊卵巢综合征，减少、抑制、抑制、预防和/或治疗患有多囊卵巢综合征的女性的糖尿病、心血管疾病、乳腺癌和子宫内膜癌。