1-bromo-4-(3-piperidin-1-yl-propoxy)benzene | 415936-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-bromo-4-(3-piperidin-1-yl-propoxy)benzene
• 英文别名: 1-(3-(4-bromophenoxy)propyl)piperidine；1-[3-(4-bromo-phenoxy)-propyl]-piperidine；1-[3-(4-bromophenoxy)-propyl]piperidine；1-[3-(4-bromophenoxy)propyl]piperidine；1-[3-(4-bromophenyl)propoxy]piperidine
• CAS: 415936-57-1
• 化学式: C₁₄H₂₀BrNO
• 分子量: 298.223
• InChiKey: MLWBBIHNWWLNFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 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-bromo-4-(3-piperidin-1-yl-propoxy)benzene 在 硫酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 5.0h， 生成 1-[3-[4-(Cyclohexen-1-yl)phenoxy]propyl]piperidine
  参考文献：
  名称：

  Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity

  摘要：

  Pre-clinical investigation of some aryl-piperidinyl ether histamine H3 receptor antagonists revealed a strong hERG binding. To overcome this issue, we have developed a QSAR model specially dedicated to H3 receptor ligands. This model was designed to be directly applicable in medicinal chemistry with no need of molecular modeling. The resulting recursive partitioning trees are robust (80-85% accuracy), but also simple and comprehensible. A novel promising lead emerged from our work and the structure-activity relationships are presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.006
• 作为产物：
  描述：

  4-溴苯酚 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 1-bromo-4-(3-piperidin-1-yl-propoxy)benzene
  参考文献：
  名称：

  Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity

  摘要：

  Pre-clinical investigation of some aryl-piperidinyl ether histamine H3 receptor antagonists revealed a strong hERG binding. To overcome this issue, we have developed a QSAR model specially dedicated to H3 receptor ligands. This model was designed to be directly applicable in medicinal chemistry with no need of molecular modeling. The resulting recursive partitioning trees are robust (80-85% accuracy), but also simple and comprehensible. A novel promising lead emerged from our work and the structure-activity relationships are presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.006

文献信息

• 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] 1,3-DIHYDROIMIDAZO[4,5-C]CINNOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS 1,3-DIHYDROIMIDAZO[4,5-C]CINNOLIN-2-ONE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2019057757A1

  公开（公告）日：2019-03-28

  The specification generally relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof, where R1-R4, A and X have the meanings defined herein. The specification also relates to the use of compounds of Formula (I) and salts thereof to treat or prevent ATM mediated disease, including cancer. The specification further relates to pharmaceutical compositions comprising substituted 1,3-dihydroimidazo[4,5-c]cinnolin-2-one compounds and pharmaceutically acceptable salts thereof; and kits comprising such compounds and salts.

  该规范通常涉及公式（I）的化合物及其药用可接受的盐，其中R1-R4、A和X的含义在此定义。该规范还涉及使用公式（I）的化合物及其盐来治疗或预防ATM介导的疾病，包括癌症。该规范还涉及包含取代的1,3-二氢咪唑并[4,5-c]茚啉-2-酮化合物及其药用可接受的盐的药物组合物；以及包含这些化合物和盐的试剂盒。
• Synthesis and preliminary evaluation of novel analogues of quindolines as potential stabilisers of telomeric G-quadruplex DNA
  作者：Christine Le Sann、Jonathan Huddleston、John Mann

  DOI：10.1016/j.tet.2007.10.045

  日期：2007.12

  quadruplex structures by appropriate small molecules. We describe the preparation of a new class of 2,7-disubstituted 10H-indolo[3,2-b]quinolines with enhanced selectivity for the stabilisation of quadruplex DNA compared to duplex DNA, and also the preparation of a key intermediate for the synthesis of trisubstituted quindolines.

  端粒DNA是癌症治疗的潜在选择性靶标，因为与肿瘤相关的端粒酶调节大多数癌细胞中端粒的维持。端粒DNA的3'单链末端可以通过适当的小分子折叠成四链体结构。我们描述了一种新型的2,7-双取代的10 H-吲哚并[3,2- b ]喹啉类，与双链体DNA相比，其对四链DNA稳定的选择性增强，并且还制备了一种关键中间体。三取代喹啉的合成。
• Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands
  申请人：BIOPROJET

  公开号：EP1717234A1

  公开（公告）日：2006-11-02

  The present patent application concerns compounds of formula (I), with R1 and R2 taken together with the nitrogen atom to which they are attached, form a mono or bicyclic saturated nitrogen-containing ring; their preparation and their use as a H3 receptor ligand for treating e.g. CNS disorders like Alzheimer's disease.

  本专利申请涉及公式（I）的化合物，其中R1和R2与它们所连接的氮原子一起形成一个单环或双环饱和氮含环；它们的制备以及它们作为H3受体配体用于治疗例如阿尔茨海默病等中枢神经系统疾病。
• COMBINATION OF MODAFINIL AND AN ANTAGONIST OR INVERSE AGONIST OF THE H3 RECEPTOR
  申请人：Schwartz Jean-Charles

  公开号：US20090312367A1

  公开（公告）日：2009-12-17

  The invention relates to a combination of modafinil and at least one histamine H3 receptor antagonist or inverse agonist, which can be used in particular for the treatment of narcolepsy-cataplexy and more generally for disorders of sleep, wakefulness and vigilance.

  本发明涉及调节药物莫达非尼和至少一种组胺H3受体拮抗剂或反向激动剂的组合，特别适用于治疗嗜睡症-猝倒症，更广泛地适用于睡眠、清醒和警觉障碍的治疗。