1-Azaspiro[4.5]decan-8-ol | 918666-98-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1-Azaspiro[4.5]decan-8-ol
• CAS: 918666-98-5
• 化学式: C₉H₁₇NO
• 分子量: 155.24
• InChiKey: AVDBIOQGZJNXOS-UHFFFAOYSA-N

物化性质

• 沸点：
  271.9±33.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Azaspiro[4.5]decan-8-ol 、 4-(氯磺酰基)苯甲酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 5-Bromo-2-[[4-[(8-hydroxy-1-azaspiro[4.5]decan-1-yl)sulfonyl]benzoyl]amino]benzoic acid
  参考文献：
  名称：

  Discovery and initial development of a novel class of antibacterials: Inhibitors of Staphylococcus aureus transcription/translation

  摘要：

  The novel bacterial transcription/translation (TT) inhibitor 1 was identified through a combination of high throughput screening and exploratory medicinal chemistry. Initial optimization of the anthranilic acid moiety and sulfonamide amine diversity was accomplished via 1- and two-dimensional solution phase libraries, resulting in an improvement in the MIC of the lead from 64 to 8 mu g/mL (compound 4I). Subsequent modification of the central aromatic ring and further refinement of the sulfonamide amines required the development of a solid phase route on Wang resin. The resulting libraries generated a number of potent antibacterials with MICs of <= 1 mu g/mL (e.g., 10b, 12, and 13). During the course of this work, it became apparent that the antibacterial activity of the series is not fully correlated with TT inhibition, suggesting that at least one additional mechanism of action is operative. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.044

文献信息

• BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES
  申请人：Plettenburg Oliver

  公开号：US20110190340A1

  公开（公告）日：2011-08-04

  The invention relates to bi- and polycyclic substituted isoquinoline and isoquinolinones of the formula (I) wherein R 1 to R 12 are as defined in the application useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

  本发明涉及式（I）的双环和多环取代的异喹啉和异喹啉酮，其中R1至R12如本申请所定义，用于治疗和/或预防与Rho-激酶和/或Rho-激酶介导的肌球蛋白轻链磷酸酶的磷酸化相关的疾病，以及含有这些化合物的组合物。
• BI-AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINE DERIVATIVES AS RHO KINASE INHIBITORS
  申请人：Sanofi-Aventis

  公开号：EP2303845A2

  公开（公告）日：2011-04-06
• Bi-and polycyclic substituted isoquinoline and isoquinoline derivatives as rho kinase inhibitors
  申请人：SANOFI

  公开号：EP2303845B1

  公开（公告）日：2013-09-18
• US8524737B2
  申请人：——

  公开号：US8524737B2

  公开（公告）日：2013-09-03
• [EN] BI- AND POLYCYCLIC SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES<br/>[FR] DERIVÉS BICYCLIQUES ET POLYCYCLIQUES D'ISOQUINOLINE ET D'ISOQUINOLINONE SUBSTITUÉS
  申请人：SANOFI AVENTIS

  公开号：WO2009156092A2

  公开（公告）日：2009-12-30

  The invention relates to bi- and polycyclic substituted isoquinoline and isoquinolinones of the formula (I) wherein R1 to R12 are as defined in the application useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.