6-溴色满-3-羧酸 | 923225-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 6-溴色满-3-羧酸
• 英文名称: 6-bromo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid
• 英文别名: 6-Bromochromane-3-carboxylic acid；6-bromo-3,4-dihydro-2H-chromene-3-carboxylic acid
• CAS: 923225-74-5
• 化学式: C₁₀H₉BrO₃
• 分子量: 257.084
• InChiKey: BWCZGYZFEWAXEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-溴色满-3-羧酸 、 4-溴邻苯二胺 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 溶剂黄146 作用下， 生成 6-bromo-2-(6-bromochroman-3-yl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  The development of benzimidazoles as selective rho kinase inhibitors

  摘要：

  Rho Kinase (ROCK) is a serine/threonine kinase whose inhibition could prove beneficial in numerous therapeutic areas. We have developed a promising class of ATP-competitive inhibitors based upon a benzimidazole scaffold, which show excellent potency toward ROCK (IC50 < 10 nM). This report details the optimization of selectivity for ROCK over other related kinases such as Protein kinase A (PKA). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.124
• 作为产物：
  描述：

  丙烯酸苄酯 、 5-溴水杨醛 在 三乙烯二胺 、 1% Pd/C 、 氢气 作用下， 生成 6-溴色满-3-羧酸
  参考文献：
  名称：

  The development of benzimidazoles as selective rho kinase inhibitors

  摘要：

  Rho Kinase (ROCK) is a serine/threonine kinase whose inhibition could prove beneficial in numerous therapeutic areas. We have developed a promising class of ATP-competitive inhibitors based upon a benzimidazole scaffold, which show excellent potency toward ROCK (IC50 < 10 nM). This report details the optimization of selectivity for ROCK over other related kinases such as Protein kinase A (PKA). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.124

文献信息

• BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110052562A1

  公开（公告）日：2011-03-03

  Compounds useful as Rho kinase inhibitors according to formula IA or IB: wherein A, B, D, E, R 1 , R 2 and Ar 1 are as defined herein, and any tautomer, salt, stereoisomer, hydrate, solvent, or prodrug thereof, pharmaceutical compositions, methods of treatment, and synthetic methods are provided.

  提供公式IA或IB所示的有用的Rho激酶抑制剂化合物：其中A、B、D、E、R1、R2和Ar1的定义如本文所述，并提供任何互变异构体、盐、立体异构体、水合物、溶剂或前药，以及制药组合物、治疗方法和合成方法。
• PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：EP3666766A1

  公开（公告）日：2020-06-17

  The present invention provides a compound represented by formula [I] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme. (in formula [I] above, the structure represented by formula [II] below: represents any of the structures represented by formula group [III] below: R1, R2, R3, and R4 independently represent a hydrogen atom, a fluorine atom, methyl, or the like, R5 represents any of the structures represented by formula group [IV]:

  本发明提供了一种由下式[I]代表的化合物或其药学上可接受的盐，对 20-HETE 生成酶具有抑制作用。 (上式[I]中，下式[II]所代表的结构： 代表下式组[III]所代表的任何一种结构： R1、R2、R3 和 R4 独立地代表氢原子、氟原子、甲基或类似物、 R5 代表式组 [IV] 所代表的任何一种结构：
• Pyridine compound substituted with azole
  申请人：TAISHO PHARMACEUTICAL CO., LTD.

  公开号：US11365192B2

  公开（公告）日：2022-06-21

  The present invention provides a compound represented by formula [I] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme. (in formula [I] above, the structure represented by formula [II] below: represents any of the structures represented by formula group [III] below: R1, R2, R3, and R4 independently represent a hydrogen atom, a fluorine atom, methyl, or the like, R5 represents any of the structures represented by formula group [IV]:

  本发明提供了一种由下式[I]代表的化合物或其药学上可接受的盐，对 20-HETE 生成酶具有抑制作用。 (上式[I]中，下式[II]所代表的结构： 代表下文式组 [III] 所代表的任何一种结构： R1、R2、R3 和 R4 独立地代表氢原子、氟原子、甲基或类似物，R5 代表式组 [IV] 所代表的任何结构：
• EP3666766
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS<br/>[FR] BENZIMIDAZOLES ET ANALOGUES COMME INHIBITEURS DE LA RHO-KINASE
  申请人：FENG YANGBO

  公开号：WO2009079011A1

  公开（公告）日：2009-06-25

  Compounds useful as Rho kinase inhibitors according to formula IA or IB: wherein A, B, D, E, R1, R2 and Ar1 are as defined herein, and any tautomer, salt, stereoisomer, hydrate, solvent, or prodrug thereof, pharmaceutical compositions, methods of treatment, and synthetic methods are provided.