Cyclohexanecarboxylic acid, 4-(1-pyrrolidinyl)-, methyl ester, trans- | 609805-45-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Cyclohexanecarboxylic acid, 4-(1-pyrrolidinyl)-, methyl ester, trans-
• 英文别名: methyl trans-4-(pyrrolidin-1-yl)cyclohexanecarboxylate
• CAS: 609805-45-0
• 化学式: C₁₂H₂₁NO₂
• 分子量: 211.304
• InChiKey: ZSMYTQRWMUZPCG-XYPYZODXSA-N

物化性质

• 沸点：
  278.2±33.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 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：

  Cyclohexanecarboxylic acid, 4-(1-pyrrolidinyl)-, methyl ester, trans- 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 trans-4-pyrrolidin-1-ylcyclohexanecarboxylic acid hydrochloride
  参考文献：
  名称：

  EP1582521

  摘要：

  公开号：
• 作为产物：
  描述：

  1,4-二碘代丁烷 、 methyl trans-4-aminocyclohexanecarboxylate hydrochloride 在 sodium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 20.0h， 生成 Cyclohexanecarboxylic acid, 4-(1-pyrrolidinyl)-, methyl ester, 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。
• Pyrazolopyrimidine compound and a process for preparing the same
  申请人：Takamuro Iwao

  公开号：US20060135525A1

  公开（公告）日：2006-06-22

  The present invention provides a novel pyrazolopyrimidine compound of the formula [I]: wherein R′ is (A) a substituted aryl group, (B) an optionally substituted nitrogen-containing aliphatic heteromonocyclic group, (C) a substituted cyclo-lower alkyl group, (D) an optionally substituted amino group, or (E) a substituted heteroaryl group, R 2 is (a) an optionally substituted heteroaryl group or (b) an optionally substituted aryl group, Y is a single bond, a lower alkylene group or a lower alkenylene group, Z is a group of the formula: —CO—, —CH2-, S02- or a group of the formula [II]: Q is a lower alkylene group, and q is an integer of 0 or 1 or a pharmaceutically acceptable sait thereof, which has a small conductance potassium channel (SK channel) blocking activity and is useful as a medicament and a process for preparing the same.

  本发明提供了一种新型的吡唑嘧啶化合物，其化学式为[I]：其中R′为（A）取代芳基，（B）可选取代的含氮脂肪杂环基，（C）取代的环低烷基，（D）可选取代的氨基或（E）取代的杂环芳基；R2为（a）可选取代的杂环芳基或（b）可选取代的芳基；Y为单键，低碳基烷基或低碳基烯基；Z为式[II]的基团：其中Q为低碳基烷基，q为0或1的整数，或其药学上可接受的盐。该化合物具有小电导钾通道（SK通道）阻滞活性，并可作为药物使用，以及其制备方法。
• 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。
• 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。