1-[2-(4-碘苯氧基)乙基]吡咯烷 | 554430-67-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-[2-(4-碘苯氧基)乙基]吡咯烷
• 英文名称: 1-[2-(4-iodophenoxy)ethyl]pyrrolidine
• 英文别名: 4-(2-(pyrrolidin-1-yl)-ethoxy)-iodobenzene；4-[2-(pyrrolidin-1-yl)-ethoxy]-iodobenzene；4-(2-(pyrrolidin-1-yl)-ethoxy)iodobenzene；1-[2-(4-iodo-phenoxy)-ethyl]-pyrrolidine；4-2-(pyrrolidin-1-yl)-ethoxy-iodobenzene；1-(2-(4-Iodophenoxy)ethyl)pyrrolidine
• CAS: 554430-67-0
• 化学式: C₁₂H₁₆INO
• mdl: MFCD14646677
• 分子量: 317.17
• InChiKey: CWRJPBXIVVHQOC-UHFFFAOYSA-N

物化性质

• 沸点：
  366℃
• 密度：
  1.526
• 闪点：
  175℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[2-(4-碘苯氧基)乙基]吡咯烷 在 四(三苯基膦)钯 、 正丁基锂 、 tetra-N-butylammonium tribromide 、 potassium carbonate 、 zinc(II) chloride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 水 、 苯 为溶剂， 生成 4-[2-fluoro-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenyl]phenol
  参考文献：
  名称：

  Synthesis and growth inhibition activity of fluorinated derivatives of tamoxifen

  摘要：

  The design and synthesis of 11 fluorinated derivatives of tamoxifen are described. Growth inhibition values (GI(50)) on human HT-29, M21, MCF7, and MDA-MB-231 tumor cells are also reported. In general, the GI(50) values are similar or slightly higher than tamoxifen with the most active compound on MCF7 cell line having a GI(50) = 3.6 mu M. Surprisingly, as opposed to tamoxifen, both geometrical isomers behave similarly. We hypothesize that this behavior is due to in vitro isomerization of the compounds. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.057
• 作为产物：
  描述：

  N-(2-氯乙基)吡咯烷 、 4-碘苯酚 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-[2-(4-碘苯氧基)乙基]吡咯烷
  参考文献：
  名称：

  Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds

  摘要：

  本发明涉及一般式I的炔烃化合物 1 其中基团和残基A、B、W、X、Y、Z、R 1 和R 2 具有权利要求中给出的含义。本发明还涉及含有根据本发明至少一种炔烃的药物组合物。鉴于它们的MCH受体拮抗活性，根据本发明的药物组合物适用于治疗代谢紊乱和/或进食紊乱，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。

  公开号：

  US20040209865A1

文献信息

• [EN] TANK-BINDING KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE KINASES SE LIANT À TANK
  申请人：GILEAD SCIENCES INC

  公开号：WO2015187684A1

  公开（公告）日：2015-12-10

  Compounds having the following formula (I) and methods of their use and preparation are disclosed:

  揭示了具有以下化学式（I）的化合物及其使用和制备方法。
• Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators
  申请人：——

  公开号：US20040259915A1

  公开（公告）日：2004-12-23

  The present invention is directed to novel heteroatom containing tetracyclic derivatives, pharmaceutical compositions containing them, their use in the treatment and/or prevention of disorders mediated by one or more estrogen receptors and processes for their preparation. The compounds of the invention are useful in the treatment and/or prevention of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新颖的含杂原子四环衍生物、含有它们的药物组合物、它们在治疗和/或预防由一个或多个雌激素受体介导的疾病中的应用，以及它们的制备方法。本发明的化合物在治疗和/或预防与雌激素耗竭相关的疾病中具有用途，例如热潮红、阴道干燥、骨量减少和骨质疏松症；激素敏感性癌症以及乳腺、子宫内膜、宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎，以及作为避孕剂，单独使用或与孕激素或孕激素拮抗剂联合使用。
• [EN] PYRAZOLE INHIBITORS OF THE TRANSFORMING GROWTH FACTOR<br/>[FR] DERIVES DE PYRAZOLE AGISSANT COMME DES INHIBITEURS DU FACTEUR DE CROISSANCE TRANSFORMANT
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004016606A1

  公开（公告）日：2004-02-26

  The invention relates to novel pyrazole derivatives of formula (I), which are inhibitors of the transforming growth factor, ('TGF')-ß signalling pathway, in particular, the phosphorylation of smad2 or smad3 by the TGF-β type I or activin-like kinase ('ALK')-5 receptor, methods for their preparation and their use in medicine, specifically in the treatment and prevention of a disease state mediated by this pathway.

  本发明涉及新型吡唑衍生物，其化学式为(I)，它们是转化生长因子('TGF')-β信号通路的抑制剂，特别是TGF-β I型或激活素样激酶('ALK')-5受体介导的smad2或smad3的磷酸化，以及这些衍生物的制备方法和在医学上的应用，特别是在治疗和预防由该通路介导的疾病状态。
• [EN] 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS<br/>[FR] DERIVES DE C2-PHENYLPYRIDINE-4-YL EN TANT QU'INHIBITEURS D'ALK5
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004013135A1

  公开（公告）日：2004-02-12

  This invention relates to novel 2-phenylpyridin-4-yl heterocyclyl derivatives which are inhibitors of the transforming growth factor, ('TGF')-ß signalling pathway, in particular, the phosphorylation of smad2 or smad3 by the TGF-β type I or activin-like kinase ('ALK')-5 receptor, methods for their preparation and their use in medicine, specifically in the treatment and prevention of a disease state mediated by this pathway.

  本发明涉及一类新颖的2-苯基吡啶-4-基杂环衍生物，这些衍生物是转化生长因子('TGF')-β信号通路的抑制剂，特别是TGF-β I型或激活素样激酶('ALK')-5受体介导的smad2或smad3磷酸化的抑制剂，以及这些衍生物的制备方法和在医学上的应用，特别是在治疗和预防由该通路介导的疾病状态方面的应用。
• Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040209865A1

  公开（公告）日：2004-10-21

  The present invention relates to alkyne compounds of general formula I 1 wherein the groups and residues A, B, W, X, Y, Z, R 1 and R 2 have the meanings given in claim 1 . The invention further relates to pharmaceutical compositions containing at least one alkyne according to the invention. In view of their MCH-receptor antagonistic activity the pharmaceutical compositions according to the invention are suitable for the treatment of metabolic disorders and/or eating disorders, particularly obesity, bulimia, anorexia, hyperphagia and diabetes.

  本发明涉及一般式I的炔烃化合物 1 其中基团和残基A、B、W、X、Y、Z、R 1 和R 2 具有权利要求中给出的含义。本发明还涉及含有根据本发明至少一种炔烃的药物组合物。鉴于它们的MCH受体拮抗活性，根据本发明的药物组合物适用于治疗代谢紊乱和/或进食紊乱，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。