1-{1-[2-(7-methoxy-2,2-dimethyl-4-oxochroman-8-yl)ethyl]piperidin-4-yl}-N-methyl-1H-indole-6-carboxamide L-(+)-tartrate

• 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-{1-[2-(7-methoxy-2,2-dimethyl-4-oxochroman-8-yl)ethyl]piperidin-4-yl}-N-methyl-1H-indole-6-carboxamide L-(+)-tartrate
• 英文别名: (2R,3R)-2,3-dihydroxybutanedioic acid;1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-8-yl)ethyl]piperidin-4-yl]-N-methylindole-6-carboxamide
• 化学式: C₄H₆O₆*C₂₉H₃₅N₃O₄
• 分子量: 639.703
• InChiKey: KAHVGFIGGPCOFD-LREBCSMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  188
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-{1-[2-(7-methoxy-2,2-dimethyl-4-oxochroman-8-yl)ethyl]piperidin-4-yl}-N-methyl-1H-indole-6-carboxamide 、 L-酒石酸 在 乙醚 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以to obtain 110 g of the title compound的产率得到1-{1-[2-(7-methoxy-2,2-dimethyl-4-oxochroman-8-yl)ethyl]piperidin-4-yl}-N-methyl-1H-indole-6-carboxamide L-(+)-tartrate
  参考文献：
  名称：

  Crystal of Indole Derivative Having Piperidine Ring and Process for Production Thereof

  摘要：

  这是一种1-[1-[2-(7-甲氧基-2,2-二甲基-4-氧代色满-8-基)-乙基]哌啶-4-基]-N-甲基-1H-吲哚-6-羧酰胺富马酸盐晶体，在13C固态NMR光谱中，其化学位移峰大约为124.0 ppm和26.8 ppm。

  公开号：

  US20080227815A1

文献信息

• Indole derivative having piperidine ring
  申请人：Suzuki Yuichi

  公开号：US20050256103A1

  公开（公告）日：2005-11-17

  The present invention relates to a compound represented by the following formula, a pharmacologically acceptable salt thereof, or a use thereof as a pharmaceutical: wherein R 1 and R 2 are substituents adjacent to each other, and together with two carbon atoms to each of which they attach, form a 5- to 7-membered non-aromatic carbocyclic group or the like, which may be substituted by 1 to 4 substituents selected from (1) an oxo group, (2) a hydroxyl group, and the like; R 3 represents a hydrogen atom or the like; and R 6 represents a hydrogen atom or the like. It is an object of the present invention to discover an agent for treating or preventing lower urinary tract symptoms, and particularly symptoms regarding urinary storage, which has a superior strength of binding to a 5-HT1A receptor and an antagonism to the receptor.

  本发明涉及以下公式所代表的化合物，其药学上可接受的盐，或其作为药物的用途： 其中R1和R2是相邻的取代基，与它们各自连接的两个碳原子一起形成一个5-至7-成员非芳香碳环基或类似物，该基可能被1至4个取代基所取代，所述取代基选自（1）氧代基，（2）羟基等；R3代表氢原子或类似物；R6代表氢原子或类似物。 本发明的目的是发现一种用于治疗或预防下尿道症状，特别是涉及尿液储存的症状的药剂，该药剂具有优越的结合力与5-HT1A受体结合并对该受体具有拮抗作用。
• Indole Derivative Having Piperidine Ring
  申请人：Suzuki Yuichi

  公开号：US20070219179A1

  公开（公告）日：2007-09-20

  The present invention relates to a compound represented by the following formula, a pharmacologically acceptable salt thereof, or a use thereof as a pharmaceutical: wherein R 1 and R 2 are substituents adjacent to each other, and together with two carbon atoms to each of which they attach, form a 5- to 7-membered non-aromatic carbocyclic group or the like, which may be substituted by 1 to 4 substituents selected from (1) an oxo group, (2) a hydroxyl group, and the like; R 3 represents a hydrogen atom or the like; and R 6 represents a hydrogen atom or the like. This compound has a superior strength of binding to a 5-HT1A receptor and an antagonism to the receptor, and is useful as an agent for treating or preventing lower urinary tract symptoms, and particularly symptoms regarding urinary storage.

  本发明涉及一种化合物，其表示为以下公式，其药理学上可接受的盐或其用途作为药物：其中R1和R2是相邻的取代基，并与它们附着的两个碳原子一起形成一个5-至7-成员的非芳香族碳环基团或类似物，该基团可以被1至4个取代基所取代，所述取代基包括(1)氧代基、(2)羟基等；R3表示氢原子或类似物；R6表示氢原子或类似物。该化合物具有优越的与5-HT1A受体结合的强度和对受体的拮抗作用，并可用作治疗或预防下尿路症状，特别是涉及尿液储存的症状的药剂。
• Crystal of Indole Derivative Having Piperidine Ring and Process for Production Thereof
  申请人：Sakaguchi Takahisa

  公开号：US20080227815A1

  公开（公告）日：2008-09-18

  A crystal of 1-[1-[2-(7-methoxy-2,2-dimethyl-4-oxochroman-8-yl)-ethyl]piperidin-4-yl]-N-methyl-1H-indole-6-carboxamide fumarate which has peaks at chemical shifts of about 124.0 ppm and about 26.8 ppm in a 13 C solid NMR spectrum.

  这是一种1-[1-[2-(7-甲氧基-2,2-二甲基-4-氧代色满-8-基)-乙基]哌啶-4-基]-N-甲基-1H-吲哚-6-羧酰胺富马酸盐晶体，在13C固态NMR光谱中，其化学位移峰大约为124.0 ppm和26.8 ppm。