6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid | 1093961-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
• CAS: 1093961-44-4
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: SZHLETHQHGZDHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid 、 4-溴邻苯二胺 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Benzimidazole- and benzoxazole-based inhibitors of Rho kinase

  摘要：

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.095
• 作为产物：
  描述：

  6-hydroxychromane-3-carboxylic acid 、 2-溴丙烷 在 caesium carbonate 作用下， 生成 6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
  参考文献：
  名称：

  Benzimidazole- and benzoxazole-based inhibitors of Rho kinase

  摘要：

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.095

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。
• [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.
• Benzimidazole- and benzoxazole-based inhibitors of Rho kinase
  作者：E. Hampton Sessions、Yan Yin、Thomas D. Bannister、Amiee Weiser、Evelyn Griffin、Jennifer Pocas、Michael D. Cameron、Claudia Ruiz、Li Lin、Stephan C. Schürer、Thomas Schröter、Philip LoGrasso、Yangbo Feng

  DOI：10.1016/j.bmcl.2008.10.095

  日期：2008.12

  Inhibitors of Rho kinase have been developed based on two distinct scaffolds, benzimidazoles, and benzoxazoles. SAR studies and efforts to optimize the initial lead compounds are described. Novel selective inhibitors of ROCK-II with excellent potency in both enzyme and cell-based assays were obtained. These inhibitors possess good microsomal stability, low cytochrome P-450 inhibitions and good oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.