Cyclohexanecarboxylic acid, 4-[[(2-hydroxyethoxy)acetyl]amino]-, methylester, trans- | 609805-65-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Cyclohexanecarboxylic acid, 4-[[(2-hydroxyethoxy)acetyl]amino]-, methylester, trans-
• 英文别名: methyl trans-4-{[(2-hydroxyethoxy)acetyl]amino}cyclohexanecarboxylate；methyl trans-4-[2-(2-hydroxyethoxy)acetylamino]cyclohexanecarboxylate
• CAS: 609805-65-4
• 化学式: C₁₂H₂₁NO₅
• 分子量: 259.302
• InChiKey: FPYMBJIPMGPYLB-MGCOHNPYSA-N

物化性质

• 沸点：
  457.9±45.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.16
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  84.86
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Cyclohexanecarboxylic acid, 4-[[(2-hydroxyethoxy)acetyl]amino]-, methylester, trans- 、 甲基磺酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 3.0h， 生成 Cyclohexanecarboxylic acid,4-[[[2-[(methylsulfonyl)oxy]ethoxy]acetyl]amino]-, methyl ester, trans-
  参考文献：
  名称：

  EP1582521

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl trans-4-({[2-(2-benzyloxy)ethoxy]acetyl}amino)cyclohexanecarboxylate 在 5%-palladium/activated carbon 氢气 、 溶剂黄146 作用下， 20.0 ℃ 、101.33 kPa 条件下， 反应 2.4h， 生成 Cyclohexanecarboxylic acid, 4-[[(2-hydroxyethoxy)acetyl]amino]-, methylester, trans-
  参考文献：
  名称：

  EP1582521

  摘要：

  公开号：

文献信息

• Fused furan compound
  申请人：Kawaguchi Takayuki

  公开号：US20060094724A1

  公开（公告）日：2006-05-04

  The present invention provides a condensed furan compound of the formula (I): wherein Ring X is benzene, pyridine, or the like; Y is an optionally substituted amino, an optionally substituted cycloalkyl, an optionally substituted aryl, an optionally substituted saturated heterocyclic group, an optionally substituted unsaturated heterocyclic group; A is a single bond, lower alkylene, lower alkenylidene, lower alkenylene or an oxygen atom; R 3 is hydrogen or the like; and, R 4 is hydrogen, or the like, or pharmaceutically acceptable salts thereof, which is useful as a medicament, particularly, as an activated blood coagulation factor X inhibitor.

  本发明提供了式(I)的紧凑呋喃化合物：其中环X是苯、吡啶或类似物；Y是可选取代的氨基、可选取代的环烷基、可选取代的芳基、可选取代的饱和杂环基、可选取代的不饱和杂环基；A是单键、低级烷基、低级烯基亚烷基、低级烯基亚烯基或氧原子；R3是氢或类似物；R4是氢或类似物，或其药学上可接受的盐，其用作药物，特别是作为激活的血凝血酶X抑制剂。
• Benzofuran derivative
  申请人：Kawaguchi Takayuki

  公开号：US20050282808A1

  公开（公告）日：2005-12-22

  The present invention provides a benzofuran derivative of the formula [1]: wherein x is a group of the formula: —N═ or —CH═; Y is an optionally substituted amino group, an optionally substituted cycloalkyl group or an optionally substituted saturated heterocyclic group; A is a single bond, a carbon chain optionally having a double bond within or at the end(s) of the chain, or an oxygen atom; R 1 is a hydrogen atom or a halogen atom; Ring B is an optionally substituted benzene ring; and R 3 is a hydrogen atom, or a pharmaceutically acceptable salt thereof, which is useful as a medicament, especially as an activated blood coagulation factor X inhibitor.

  本发明提供了一种苯并呋喃衍生物，其化学式为[1]：其中x是公式：—N═或—CH═的基团；Y是可选取的取代氨基、可选取的取代环烷基或可选取的饱和杂环基团；A是单键、可选取的具有双键或位于链的末端的碳链或氧原子；R1是氢原子或卤素原子；环B是可选取的取代苯环；R3是氢原子或其药学上可接受的盐，该化合物作为药物特别是激活的血凝血因子X抑制剂。
• Amide type carboxamide derivative
  申请人：Kawaguchi Takayuki

  公开号：US20060287329A1

  公开（公告）日：2006-12-21

  The present invention provides an amide-type carboxamide derivative of the formula [1]: wherein X is a group of the formula: —N═ or the formula: —CH═; R 1 is a halogen atom, a lower alkyl group, and the like; R 2 is a group of the formula: and the like; Y 1 and Y 2 are the same or different and each is a group selected from a halogen atom, a lower alkyl group, a lower alkoxy group, and the like; Ring A is phenyl group, and the like, or a pharmaceutically acceptable salt thereof, which is useful as an inhibitor of FXa.

  本发明提供了一种式[1]的酰胺型羧酰胺衍生物，其中X是式：—N═或式：—CH═的基团；R1是卤素原子、低烷基等；R2是式：及类似基团；Y1和Y2相同或不同，每个都是从卤素原子、低烷基、低烷氧基等中选择的基团；环A是苯基等，或其药学上可接受的盐，可用作FXa抑制剂。
• Condensed furan compounds
  申请人：Kawaguchi Takayuki

  公开号：US20090156803A1

  公开（公告）日：2009-06-18

  The present invention provides a condensed furan compound of the formula (I): wherein Ring X is benzene, pyridine, or the like; Y is an optionally substituted amino, an optionally substituted cycloalkyl, an optionally substituted aryl, an optionally substituted saturated heterocyclic group, an optionally substituted unsaturated heterocyclic group; A is a single bond, lower alkylene, lower alkenylidene, lower alkenylene or an oxygen atom; R 3 is hydrogen or the like; and, R 4 is hydrogen, or the like, or pharmaceutically acceptable salts thereof, which is useful as a medicament, particularly, as an activated blood coagulation factor X inhibitor.

  本发明提供了一种公式（I）的紧凑呋喃化合物：其中环X为苯、吡啶或类似物；Y为可选取代的氨基、可选取代的环烷基、可选取代的芳基、可选取代的饱和杂环基、可选取代的不饱和杂环基；A为单键、低碳烷基、低碳烯基亚甲基、低碳烯基或氧原子；R3为氢或类似物；R4为氢、类似物或药学上可接受的盐，其作为药物特别是作为激活的血凝血酶X抑制剂非常有用。
• Benzofuran Derivatives
  申请人：Kawaguchi Takayuki

  公开号：US20090209511A1

  公开（公告）日：2009-08-20

  The present invention provides a benzofuran derivative of the formula [1]: wherein x is a group of the formula: —N═ or —CH═; Y is an optionally substituted amino group, an optionally substituted cycloalkyl group or an optionally substituted saturated heterocyclic group; A is a single bond, a carbon chain optionally having a double bond within or at the end(s) of the chain, or an oxygen atom; R 1 is a hydrogen atom or a halogen atom; Ring B is an optionally substituted benzene ring; and R 3 is a hydrogen atom, or a pharmaceutically acceptable salt thereof, which is useful as a medicament, especially as an activated blood coagulation factor X inhibitor.

  本发明提供了式[1]的苯并呋喃衍生物：其中x是式：—N═或—CH═的基团；Y是可选取代的氨基基团、可选取代的环烷基团或可选取代的饱和杂环基团；A是单键、具有双键的碳链（可在链的内部或端部）或氧原子；R1是氢原子或卤原子；环B是可选取代的苯环；R3是氢原子或其药学上可接受的盐，其作为药物特别是作为激活的血凝因子X抑制剂有用。