E-4-(4-cyanophenyl)-2-buten-1-ol | 368427-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: E-4-(4-cyanophenyl)-2-buten-1-ol
• 英文别名: 4-[(E)-4-hydroxybut-2-enyl]benzonitrile
• CAS: 368427-01-4
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: VUGSUFTXUIEAKE-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-丙炔-1-醇 、 9-硼双环[3.3.1]壬烷 、 对氰基溴化苄 、 、 sodium hydroxide 在 氮 、 双氧水 、 水 、 sodium hydroxide 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 crude product 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 以The product 167 was obtained as colorless oil (1.05 g, 24% yield)的产率得到E-4-(4-cyanophenyl)-2-buten-1-ol
  参考文献：
  名称：

  Thrombin inhibitors having a lactam at P3

  摘要：

  本发明提供了化合物，其在P3处具有内酰胺环，在P1处具有一个六元杂环，其中有两个环氮原子和其余环原子为碳原子。这些化合物具有生物活性，作为凝血酶的活性和有效的抑制剂。还描述了这些化合物的药学上可接受的盐，其制剂以及使用这些化合物和包含这些化合物的制剂作为治疗哺乳动物中的疾病状态的治疗剂的方法。这些疾病状态以异常血栓形成为特征。

  公开号：

  US06541467B1

文献信息

• Non-covalent thrombin inhibitors
  申请人：Corvas International, Inc.

  公开号：US06506754B1

  公开（公告）日：2003-01-14

  The present invention provides compounds which have a pyrazinone or pyridinone ring at P3 and which feature a six member heterocyclic ring having two ring nitrogen atoms and the remainder of the ring atoms carbon atoms at P1. These compounds have biological activity as active and potent inhibitors of thrombin. Their pharmaceutically acceptable salts, pharmaceutical compositions thereof and methods of using these compounds and pharmaceutical compositions comprising these compounds as therapeutic agents for treatment of disease states in mammals which are characterized by abnormal thrombosis are also described.

  本发明提供了一些化合物，它们在P3处具有吡嗪酮或吡啶酮环，并具有一个六元杂环，其中包括两个环氮原子和其余环原子为碳原子在P1处。这些化合物具有生物活性，可以作为凝血酶的活性和有效的抑制剂。还描述了它们的药物可接受的盐、药物组合物以及使用这些化合物和包含这些化合物的药物组合物作为治疗哺乳动物的疾病状态的治疗剂的方法。这些疾病状态的特征是异常的血栓形成。
• US6506754B1
  申请人：——

  公开号：US6506754B1

  公开（公告）日：2003-01-14
• US6541467B1
  申请人：——

  公开号：US6541467B1

  公开（公告）日：2003-04-01
• [EN] TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS<br/>[FR] DERIVES DE TETRAHYDRO-AZEPINONE SERVANT D'INHIBITEURS DE LA THROMBINE
  申请人：CORVAS INT INC

  公开号：WO2001079261A1

  公开（公告）日：2001-10-25

  The present invention provides compounds having a lactam ring at P3 and a bicyclic ring group at P1. These compounds have biological activity as active and potent inhibitors of thrombin. Their pharmaceutically acceptable salts, pharmaceutical compositions thereof and methods of using these compounds and pharmaceutical compositions comprising these compounds as therapeutic agents for treatment of disease states in mammals which are characterized by abnormal thrombosis are also described.
• [EN] NOVEL NON-COVALENT THROMBIN INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE THROMBINE DE TYPE NON COVALENT
  申请人：CORVAS INT INC

  公开号：WO2001079195A2

  公开（公告）日：2001-10-25

  The present invention provides compounds which have a pyrazinone or pyridinone ring at P3 and which feature at P1 a cyclic amino or amidino derivative. These compounds have biological activity as active and potent inhibitors of thrombin. Their pharmaceutically acceptable salts, pharmaceutical compositions thereof and methods of using these compounds and pharmaceutical compositions comprising these compounds as therapeutic agents for treatment of disease states in mammals which are characterized by abnormal thrombosis are also described.