[6-O-sulfiamoyl-2-(4-O-sulfiamoyl-phenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-O-sulfiamoyl-2-(4-O-sulfiamoyl-phenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
• 英文别名: 6-benzyloxy-2-(4-benzyloxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene；[6-Phenylmethoxy-2-(4-phenylmethoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• 化学式: C₄₂H₃₉NO₄S
• 分子量: 653.842
• InChiKey: OCVDZFGRQWYKGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  48
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氯化苄 、 雷洛昔芬 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以20%的产率得到[6-O-sulfiamoyl-2-(4-O-sulfiamoyl-phenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone
  参考文献：
  名称：

  Versatile raloxifene triflates

  摘要：

  Methodology has been employed that permits the differentiation of the phenols of raloxifene. Transition metal mediated transformations of raloxifene triflates have subsequently provided a number of analogs that were evaluated further in two in vitro models predictive of estrogen receptor mediated biological activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00130-3

文献信息

• Benzothiophene compounds and process for preparing them
  申请人：ELI LILLY AND COMPANY

  公开号：EP0062503A1

  公开（公告）日：1982-10-13

  6-Hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-[3-methylpyrrolidino]ethoxy)benzoyl]benzo[b]thiophene, its ethers and esters, and the physiologically acceptable acid addition salts thereof, and 6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-piperidi- noethoxy)benzoyl]benzo[b]-thiophene, its ethers and esters, and the physiologically acceptable acid addition salts thereof, are valuable antiestrogens and antiendrogens.

  6-羟基-2-(4-羟基苯基)-3-[4-(2-[3-甲基吡咯啉基]乙氧基)苯甲酰基]苯并噻吩，其醚和酯，以及其生理上可接受的酸盐，以及6-羟基-2-(4-羟基苯基)-3-[4-(2-哌啶基)乙氧基]苯甲酰基]苯并噻吩，其醚和酯，以及其生理上可接受的酸盐，是有价值的抗雌激素和抗雄激素。
• Method for treating smoking-related bone loss
  申请人：ELI LILLY AND COMPANY

  公开号：EP0724881A1

  公开（公告）日：1996-08-07

  A method for treating smoking-related bone loss which comprises administering to a human in need thereof a pharmaceutically-effective amount of a compound having the formula    wherein R1 and R3 are independently hydrogen, C1-C4 alkyl, -CO-(C1-C6 alkyl), or -CH2Ar, -CO-Ar, wherein Ar is phenyl or substituted phenyl;    R2 is selected from the group consisting of pyrrolidine, hexamethylenemino, and piperidino; or a pharmaceutically-acceptable salt thereof.

  一种治疗与吸烟有关的骨质疏松的方法，包括向有需要的人施用药学上有效量的化合物，其式为 其中 R1 和 R3 独立地为氢、C1-C4 烷基、-CO-(C1-C6 烷基)或-CH2Ar、-CO-Ar，其中 Ar 为苯基或取代苯基； R2 选自吡咯烷、六亚甲基苯胺和哌啶组成的组；或其药学上可接受的盐。
• Synthesis, biological evaluation, and stability studies of raloxifene mono- and bis-sulfamates as dual-targeting agents
  作者：Seyed-Omar Zaraei、Wolfgang Dohle、Hanan S. Anbar、Randa El-Gamal、Bertrand Leblond、Paul A. Foster、Taleb H. Al-Tel、Barry V.L. Potter、Mohammed I. El-Gamal

  DOI：10.1016/j.bmc.2024.117645

  日期：2024.3
• CALCIUM CHANNEL ANTAGONISTS
  申请人：ELI LILLY AND COMPANY

  公开号：EP0831822A1

  公开（公告）日：1998-04-01
• The use of calcium channel antagonists for treating cardiac, renal and gastrointestinal disorders and hypertension
  申请人：ELI LILLY AND COMPANY

  公开号：EP0831822B1

  公开（公告）日：2003-10-29