hexahydro-4,8-methanopyrido[2,1-c][1,4]oxazin-7(6H)-one | 141380-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: hexahydro-4,8-methanopyrido[2,1-c][1,4]oxazin-7(6H)-one
• 英文别名: 5-Oxa-8-aza-tricyclo[5.3.1.0^3,8]undecan-10-one；5-Oxa-8-azatricyclo[5.3.1.03,8]undecan-10-one
• CAS: 141380-10-1
• 化学式: C₉H₁₃NO₂
• 分子量: 167.208
• InChiKey: SANYCRKUECCBNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  hexahydro-4,8-methanopyrido[2,1-c][1,4]oxazin-7(6H)-one 在 四甲基甲烷二胺 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成 N-((7-oxooctahydro-4,8-methanopyrido[2,1-c][1,4]oxazin-6-yl)methyl)methanesulfonamide
  参考文献：
  名称：

  [EN] QUINUCLIDINE-3-ONE DERIVATIVES
  [FR] DÉRIVÉS DE QUINUCLIDINE-3-ONE

  摘要：

  The invention relates to certain substituted quinuclidine-3-one compounds for use in the treatment of hyperproliferative disease, such as cancer, and diseases associated with inflammation. More particularly, the present invention relates to certain substituted 3-quinuclidinones, pharmaceutically acceptable salts thereof, pharmaceutical compositions containing the same, and to methods for using such compounds. In this manner, these compounds are of use for treating hyperproliferative diseases and inflammatory diseases.

  公开号：

  WO2022175402A1
• 作为产物：
  描述：

  ethyl 7-oxooctahydro-4,8-methanopyrido[2,1-c][1,4]oxazine-6-carboxylate hydrochloride 在 盐酸 、 甲烷 作用下， 反应 16.0h， 以1.35 g的产率得到hexahydro-4,8-methanopyrido[2,1-c][1,4]oxazin-7(6H)-one
  参考文献：
  名称：

  [EN] QUINUCLIDINE-3-ONE DERIVATIVES
  [FR] DÉRIVÉS DE QUINUCLIDINE-3-ONE

  摘要：

  The invention relates to certain substituted quinuclidine-3-one compounds for use in the treatment of hyperproliferative disease, such as cancer, and diseases associated with inflammation. More particularly, the present invention relates to certain substituted 3-quinuclidinones, pharmaceutically acceptable salts thereof, pharmaceutical compositions containing the same, and to methods for using such compounds. In this manner, these compounds are of use for treating hyperproliferative diseases and inflammatory diseases.

  公开号：

  WO2022175402A1

文献信息

• Lowe III; Drozda; McLean, Journal of Medicinal Chemistry, 1994, vol. 37, # 18, p. 2831 - 2840
  作者：Lowe III、Drozda、McLean、Bryce、Crawford、Snider、Longo、Nagahisa、Tsuchiya

  DOI：——

  日期：——
• Lowe John A., III, Drozda Susan E., McLean Stafford, Bryce Dianne K., Cra+, J. Med. Chem, 37 (1994) N 18, S 2831-2840
  作者：Lowe John A., III, Drozda Susan E., McLean Stafford, Bryce Dianne K., Cra+

  DOI：——

  日期：——