1-(3-(5-hydroxy-1H-indol-3-yl)propyl)-4-(5-methoxy-4-pyrimidinyl)piperazine | 141101-26-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(3-(5-hydroxy-1H-indol-3-yl)propyl)-4-(5-methoxy-4-pyrimidinyl)piperazine
• 英文别名: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-hydroxyindole；3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-ol
• CAS: 141101-26-0
• 化学式: C₂₀H₂₅N₅O₂
• 分子量: 367.451
• InChiKey: PHMJQMZOHLKSPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  77.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(3-(5-hydroxy-1H-indol-3-yl)propyl)-4-(5-methoxy-4-pyrimidinyl)piperazine 、 异氰酸甲酯 在 isopropanol-ether 、 SiO2 EtOAc MeOH 作用下， 以 二氯甲烷 为溶剂， 反应 96.0h， 以then 90:10) to give the title compound (0.120 g, 60%) as a light gray solid, m.p. 1200-122° C的产率得到3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-(methyl-carbamoyl)oxyindole
  参考文献：
  名称：

  Antimigraine 4-pyrimidinyl and pyridinyl derivatives of

  摘要：

  一系列新型的Formula I中的indol-3-ylalkylpiperazines的alkoxypyridin-4-yl和alkoxypyrimidin-4-yl衍生物，由于它们在5-HT1D结合位点具有强大的亲和力和激动剂活性，因此预计可用作缓解血管性头痛的有用药物。##STR1##

  公开号：

  US05434154A1

文献信息

• Indolylalkyl derivatives of pyrimidinylpiperazine for treating vascular
  申请人：Bristol-Myers Squibb Company

  公开号：US05300506A1

  公开（公告）日：1994-04-05

  A series of novel indol-3-ylalkyl derivatives of alkoxypyrimidinylpiperazines are disclosed as Formula I. ##STR1## These compounds are intended to be useful agents for alleviation of vascular headache on the basis of their potent affinity and agonist activity at 5-HT1D binding sites.

  一系列新颖的吲哚-3-基烷基衍生物的烷氧基嘧啶基哌嗪被披露为公式I。这些化合物旨在通过它们在5-HT1D结合位点的强亲和力和激动剂活性来缓解血管性头痛。
• INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION
  申请人：KRAMER Stephen J.

  公开号：US20090281114A1

  公开（公告）日：2009-11-12

  The present invention relates to a method for alleviation, prevention, and treatment of anxiety, depression, and sexual dysfunction by administering certain indolylalkyl derivatives of pyrimidinylpiperazine or metabolites thereof. A preferred embodiment is of the following formula:

  本发明涉及通过给予某些吡咯啉基吡咯嗪的衍生物或其代谢物来缓解、预防和治疗焦虑、抑郁和性功能障碍的方法。一种首选实施例的化学式如下：
• Antimigraine alkoxypyrimidine derivatives
  申请人：Bristol-Myers Squibb Company

  公开号：EP0464558A1

  公开（公告）日：1992-01-08

  Certain 1-indolylalkyl-4-[4-(5-alkoxy)-pyrimidinyl] piperazines and their pharmaceutically acceptable salts are useful in the treatment of vascular headache.

  某些 1-吲哚烷基-4-[4-(5-烷氧基)-嘧啶基]哌嗪及其药学上可接受的盐类可用于治疗血管性头痛。
• Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines
  申请人：Bristol-Myers Squibb Company

  公开号：EP0548813A1

  公开（公告）日：1993-06-30

  A series of novel alkoxypyridin-4-yl and alkoxypyrimidin-4-yl derivatives of indol-3-ylalkylpiperazines of formula I are intended to be useful agents for alleviation of vascular headache on the basis of their potent affinity and agonist activity at 5-HT1D binding sites.

  式 I 的吲哚-3-基烷基哌嗪的一系列新型烷氧基吡啶-4-基和烷氧基嘧啶-4-基衍生物，凭借其在 5-HT1D 结合位点的强亲和力和激动剂活性，有望成为缓解血管性头痛的有效药物。
• Extended release compositions
  申请人：Kramer J. Stephen

  公开号：US20050095286A1

  公开（公告）日：2005-05-05

  A pharmaceutical composition is provided, which includes: at least one active ingredient selected from the group including adatanserin, a compound having formula I, a compound having formula II, abaperidone, pharmaceutically acceptable salt thereof, prodrug thereof, and a mixture thereof; at least one high or medium viscosity hydroxypropylmethylcellulose (HPMC); at least one high or medium viscosity hydroxyethylcellulose (HEC); wherein the HPMC and HEC are present in a HPMC/HEC weight ratio ranging from 1/0.5 to 1/1.5; wherein adatanserin, abaperidone, and the compounds having formulas (I) and (II) are defined herein.

  本发明提供了一种药物组合物，其中包括：至少一种选自包括阿达坦色林、具有式 I 的化合物、具有式 II 的化合物、阿巴匹酮、其药学上可接受的盐、其原药及其混合物的活性成分；至少一种高粘度或中等粘度羟丙基甲基纤维素（HPMC）；至少一种高粘度或中等粘度羟乙基纤维素（HEC）；其中，HPMC 和 HEC 的 HPMC/HEC 重量比为 1/0.5至1/1.5；其中阿达坦色林、阿巴匹利酮和具有式(I)和(II)的化合物在本文中定义。