5-pyridin-4-yl-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one hydrochloride | 912668-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-pyridin-4-yl-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one hydrochloride
• 英文别名: 5-pyridin-4-yl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one;hydrochloride
• CAS: 912668-32-7
• 化学式: C₂₆H₁₇F₃N₂O₃*ClH
• 分子量: 498.889
• InChiKey: PAZVJHBTQBWKMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  pyrimidine-5-boronic acid, 5-pyridin-4-yl-1-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one was obtained as a white solid, which was treated with HCl 、 2'-oxo-1'-{[5-(trifluoromethyl)-2-furyl]methyl}-1',2'-dihydrospiro[1-benzofuran-3,3'-indol]-5-yl trifluoromethanesulfonate 生成 5-pyridin-4-yl-1'-{[5-(trifluoromethyl)-2-furyl]methyl}spiro[1-benzofuran-3,3'-indol]-2'(1'H)-one hydrochloride
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS
  申请人：Chafeev Mikhail

  公开号：US20100173967A1

  公开（公告）日：2010-07-08

  This invention is directed to methods of using spiro-oxindole compounds of formula (I): wherein k, j, Q, R 1 , R 2a , R 2b , R 2c , R 2d , R 3a , R 3b , R 3c , and R 3d are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, for the treatment and/or prevention of hypercholesterolemia, benign prostatic hyperplasia, pruritis and cancer.

  这项发明涉及使用式(I)的螺环-氧吲哚化合物的方法：其中k、j、Q、R1、R2a、R2b、R2c、R2d、R3a、R3b、R3c和R3d如本处所定义，作为立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化合物或前药，用于治疗和/或预防高胆固醇血症、良性前列腺增生、瘙痒和癌症。
• Spiro-oxindole compounds and their uses as therapeutic agents
  申请人：Chafeev Mikhail

  公开号：US20060252812A1

  公开（公告）日：2006-11-09

  This invention is directed to spiro-oxindole compounds of formula (I): wherein k, j, Q, R 1 , R 2a , R 2b , R 2c , R 2d , R 3a , R 3b , R 3c , and R 3d are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, which are useful for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain. Pharmaceutical compositions comprising the compounds and methods of preparing and using the compounds are also disclosed.

  本发明涉及式（I）的螺环-氧吲哚化合物： 其中k，j，Q，R1，R2a，R2b，R2c，R2d，R3a，R3b，R3c和R3d如本说明书中所定义的那样，作为立体异构体，对映异构体，互变异构体或其混合物；或其药学上可接受的盐，溶剂化合物或前药，这些化合物对治疗和/或预防钠通道介导的疾病或病症，如疼痛，有用。还公开了包含这些化合物的制药组合物和制备和使用这些化合物的方法。
• SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS
  申请人：Chafeev Mikhail

  公开号：US20100125072A1

  公开（公告）日：2010-05-20

  This invention is directed to spiro-oxindole compounds of formula (I): wherein k, j, Q, R 1, R 2a , R 2b , R 2c , R 2d , R 3a , R 3b , R 3c , and R 3d are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, which are useful for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain. Pharmaceutical compositions comprising the compounds and methods of preparing and using the compounds are also disclosed.

  本发明涉及式（I）的螺环氧吲哚化合物： 其中k，j，Q，R1，R2a，R2b，R2c，R2d，R3a，R3b，R3c和R3d如本文所定义，作为立体异构体，对映异构体，互变异构体或其混合物；或其药学上可接受的盐，溶剂化合物或前药，其用于治疗和/或预防钠通道介导的疾病或病症，如疼痛。还公开了包含该化合物的药物组合物以及制备和使用该化合物的方法。
• US7700641B2
  申请人：——

  公开号：US7700641B2

  公开（公告）日：2010-04-20
• US7935721B2
  申请人：——

  公开号：US7935721B2

  公开（公告）日：2011-05-03