4-cyano-4-(2,3-dihydro-8-methoxy-1,4-benzodioxin-5-yl)cyclohexanecarboxylic acid | 468730-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 4-cyano-4-(2,3-dihydro-8-methoxy-1,4-benzodioxin-5-yl)cyclohexanecarboxylic acid
• CAS: 468730-62-3
• 化学式: C₁₇H₁₉NO₅
• 分子量: 317.342
• InChiKey: SBCKAEJLDHJBNZ-OYHSWFHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  88.78
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4-(2,3-dihydro-8-methoxy-1,4-benzodioxin-5-yl)-3-cyclohexenecarboxylic acid 、 三甲基氰硅烷 在 三氟甲磺酸 作用下， 以 2,3,4-三氟甲苯 为溶剂， 反应 0.08h， 生成 cis-4-cyano-4-(2,3-dihydro-8-methoxy-1,4-benzodioxin-5-yl)cyclohexanecarboxylic acid 、 4-cyano-4-(2,3-dihydro-8-methoxy-1,4-benzodioxin-5-yl)cyclohexanecarboxylic acid
  参考文献：
  名称：

  布朗斯台德酸促进芳烃的氢氰化

  摘要：

  在三氟甲磺酸和三甲基甲硅烷基氰化物的存在下，未活化的芳基烯烃可以有效地转化为叔苄基腈。当给电子基团被取代在苯环上时，氢氰化反应导致良好或极好的收率。反应条件温和且相对安全，特别是无需处理危险的氰化氢气体，从而可轻松轻松地获得叔苄基腈。该反应被用于制备PDE4抑制剂（3）以及一系列类似物。

  DOI：

  10.1021/ol902244e

文献信息

• Oxygen-containing heterocyclic compounds
  申请人：——

  公开号：US20010056117A1

  公开（公告）日：2001-12-27

  The present invention relates to oxygen-containing heterocyclic compounds represented by the following formula (I): 1 wherein m represents an integer of 0 to 4; R 1 , R 2 , R 3 and R 4 independently represent a hydrogen atom, substituted or unsubstituted lower alkyl, etc.; R 5 represents substituted or unsubstituted lower alkoxy etc.; R 6 represents a hydrogen atom etc.; and Y represents the following formula (II): 2 wherein R 9 represents cyano etc., R 10 represents a hydrogen atom etc., R 1 represents carboxy etc., and R 2 represents a hydrogen atom etc.; and the like; or pharmaceutically acceptable salts thereof.

  本发明涉及氧含杂环化合物，其表示为以下式（I）：其中m代表0至4的整数；R1、R2、R3和R4独立地代表氢原子、取代或未取代的较低烷基等；R5代表取代或未取代的较低烷氧等；R6代表氢原子等；Y代表以下式（II）：其中R9代表氰基等，R10代表氢原子等，R1代表羧基等，R2代表氢原子等；以及类似的；或其药学上可接受的盐。
• Styrene derivatives and process for production thereof
  申请人：——

  公开号：US20040054197A1

  公开（公告）日：2004-03-18

  The present invention provides a compound represented by general formula (I): 1 [wherein m represents an integer of 0 to 4; R 1 , R 2 , R 3 and R 4 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like; R 5 represents hydroxy, or substituted or unsubstituted lower alkoxy; R 6 represents a hydrogen atom or halogen; R 7 represents hydroxy, formyl, substituted or unsubstituted lower alkoxy, or the like; and R 8 represents a hydrogen atom, substituted or unsubstituted lower alkoxy, or the like], or a salt thereof.

  本发明提供了一种由通式(I)表示的化合物：1［其中，m表示0至4的整数；R1、R2、R3和R4可以相同也可以不同，每个代表氢原子、取代或未取代的低级烷基或类似物；R5代表羟基、取代或未取代的低级烷氧基；R6代表氢原子或卤素；R7代表羟基、甲酰基、取代或未取代的低级烷氧基或类似物；R8代表氢原子、取代或未取代的低级烷氧基或类似物］，或其盐。
• STYRENE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF
  申请人：Kyowa Hakko Kogyo Co., Ltd

  公开号：EP1362853A1

  公开（公告）日：2003-11-19

  The present invention provides a compound represented by general formula (I): [wherein m represents an integer of 0 to 4; R1, R2, R3 and R4 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like; R5 represents hydroxy, or substituted or unsubstituted lower alkoxy; R6 represents a hydrogen atom or halogen; R7 represents hydroxy, formyl, substituted or unsubstituted lower alkoxy, or the like; and R8 represents a hydrogen atom, substituted or unsubstituted lower alkoxy, or the like], or a salt thereof.

  本发明提供了通式(I)代表的化合物： [其中 m 代表 0 至 4 的整数；R1、R2、R3 和 R4 可以相同或不同，各自代表氢原子、取代或未取代的低级烷基或类似物；R5 代表羟基、取代或未取代的低级烷氧基；R6 代表氢原子或卤素；R7 代表羟基、甲酰基、取代或未取代的低级烷氧基或类似物；以及 R8 代表氢原子、取代或未取代的低级烷氧基或类似物]，或其盐。
• REMEDIES/PREVENTIVES FOR CHRONIC SKIN DISEASE
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1810692A1

  公开（公告）日：2007-07-25

  The present invention provides: a therapeutic and/or preventive agent for chronic skin diseases which comprises (a) a phosphodiesterase (PDE)-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a steroid agent as active ingredients; a therapeutic and/or preventive agent for chronic skin diseases to be administered simultaneously or separately with an interval which comprises (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a steroid agent, as active ingredients; a kit for treating and/or preventing chronic skin diseases characterized by comprising (a) a first component comprising a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) a second component comprising a steroid agent; and the like.

  本发明提供了一种治疗和/或预防慢性皮肤病的药剂，其活性成分包括(a)磷酸二酯酶(PDE)-IV抑制剂或其药学上可接受的盐和(b)类固醇制剂；一种治疗和/或预防慢性皮肤病的药剂，可与包括(a)磷酸二酯酶(PDE)-IV抑制剂或其药学上可接受的盐和(b)类固醇制剂在内的活性成分同时或单独施用；一种治疗和/或预防慢性皮肤病的试剂盒，其特征在于包括(a)由 PDE-IV 抑制剂或其药学上可接受的盐组成的第一组分和(b)由类固醇制剂组成的第二组分；等等。
• PHARMACEUTICAL COMPOSITION
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1813284A1

  公开（公告）日：2007-08-01

  The present invention provides a pharmaceutical composition comprising (a) a phosphodiesterase (PDE)-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) an immunosuppressant, a therapeutic and/or preventive agent for chronic skin diseases comprising (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) an immunosuppressant, a therapeutic and/or preventive agent for chronic skin diseases to be administered simultaneously or separately with an interval comprising (a) a PDE-IV inhibitor or a pharmaceutically acceptable salt thereof and (b) an immunosuppressant, as active ingredients,; and the like.

  本发明提供了一种药物组合物，包含(a)磷酸二酯酶(PDE)-IV抑制剂或其药学上可接受的盐和(b)免疫抑制剂，一种用于慢性皮肤病的治疗和/或预防剂，包含(a)PDE-IV抑制剂或其药学上可接受的盐和(b)免疫抑制剂、一种用于慢性皮肤病的治疗和/或预防剂，可同时或分别与一种间隔给药，其活性成分包括(a) 一种 PDE-IV 抑制剂或其药学上可接受的盐和(b) 一种免疫抑制剂；等。