6-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(2-ethoxycarbonylethyl)-1-pyridinyl}-2H-benzo[b]pyran

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(2-ethoxycarbonylethyl)-1-pyridinyl}-2H-benzo[b]pyran
• 英文别名: ethyl 3-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxopyridin-4-yl]propanoate
• 化学式: C₂₂H₂₂N₂O₄
• 分子量: 378.428
• InChiKey: MWGOKQZMPHJYOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  79.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-cyano-2,2-dimethyl-4-{1,2-dihydro-2-oxo-4-(2-ethoxycarbonylethyl)-1-pyridinyl}-2H-benzo[b]pyran 在 盐酸 、 sodium borohydrid 、 sodium chloride 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 生成 6-cyano-2,2-dimethyl-4-(1,2-dihydro-2-oxo-4-(3-hydroxypropyl)-1-pyridinyl}-2H-benzo[b]pyran
  参考文献：
  名称：

  Certain chroman derivatives useful for treating symptoms caused by

  摘要：

  以下是通用公式[1]表示的一种色酮衍生物：##STR1##其中R.sub.1代表氰基、硝基、卤代甲基基团或--SO.sub.2--X基团（X代表具有1-6个碳原子的较低烷基基团或芳基团）；R.sub.2代表氢原子或OA基团（A代表氢原子、硝基、具有1-6个碳原子的较低酰基基团、芳基羰基基团、具有1-6个碳原子的较低烷基磺酰基团、芳基磺酰基团、芳基烷基基团、四氢吡喃基团、具有1-6个碳原子的较低烷氧羰基团、芳基烷氧羰基团或硅基衍生物基团）；R.sub.3单独代表氢原子；或R.sub.3与R.sub.2共同形成键；而R.sub.4、R.sub.5、R.sub.6和R.sub.7分别代表氢原子、乙烯基、甲酰基、--Y--(OA).sub.n基团（Y代表具有1-6个碳原子的直链或支链烷基基团或具有1-6个碳原子的较低烯基基团，A如上定义，n代表1-3的整数）。本发明的化合物预计可有效用作治疗由于平滑肌收缩引起的各种症状的药剂，治疗循环系统疾病和治疗癫痫。

  公开号：

  US05296492A1

文献信息

• Chroman derivatives
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：EP0518342A1

  公开（公告）日：1992-12-16

  A chroman derivative represented by the following general formula [1]: wherein R₁ represents cyano group, nitro group, halogenomethyl group or -SO₂-X group (X represents lower alkyl group having 1-6 carbon atoms or aryl group); R₂ represents hydrogen atom or OA group (A represents hydrogen atom, nitro group, lower acyl group having 1-6 carbon atoms, arylcarbonyl group, lower alkylsulfonyl group having 1-6 carbon atoms, arylsulfonyl group, arylalkyl group, tetrahydropyranyl group, lower alkoxycarbonyl group having 1-6 carbon atoms, arylalkoxycarbonyl group or silyl derivative group); R₃ singly represents a hydrogen atom; or R₃ forms a bond jointly with R₂; and R₄, R₅, R₆ and R₇ each represent hydrogen atom, vinyl group, formyl group, -Y-(OA)n group (Y represents straight or branched chain alkylene group having 1-6 carbon atoms or lower alkenyl group having 1-6 carbon atoms, A is as defined above, and n represents an integer of 1-3, provided that when n is 2 or greater, each OA groups are identical or independent of one another) or -CO-Z group (Z represents hydrogen atom, lower alkyl group having 1-6 carbon atoms, aryl group, hydroxyl group or lower alkoxy group having 1-6 carbon atoms); provided that R₄, R₅, R₆ and R₇ are identical or independent of one another. The compound of this invention is expected to be effectively usable as an agent for prevention and treatment of various symptoms due to the contraction of smooth muscles, for prevention and treatment of the diseases of the circulatory system and for prevention and treatment of epilepsy.

  由以下通式[1]表示的铬烷衍生物： 其中 R₁ 代表氰基、硝基、卤代甲基或 -SO₂-X 基团（X 代表具有 1-6 个碳原子的低级烷基或芳基）；R₂ 代表氢原子或 OA 基团（A 代表氢原子、硝基、具有 1-6 个碳原子的低级酰基、芳基羰基、具有 1-6 个碳原子的低级烷基磺酰基、芳基磺酰基、芳烷基、四氢吡喃基、具有 1-6 个碳原子的低级烷氧基羰基、芳基烷氧基羰基或硅烷衍生物基团）；R₃ 单个代表氢原子；或 R₃ 与 R₂ 共同形成键；且 R₄、R₅、R₆ 和 R₇ 各自代表氢原子、乙烯基、甲酰基、-Y-(OA)n 基团（Y 代表具有 1-6 个碳原子的直链或支链亚烷基或具有 1-6 个碳原子的低级烯基，A 如上文所定义，且 n 代表 1-3 的整数）、但当 n 为 2 或更大时，每个 OA 基团彼此相同或独立）或-CO-Z 基团（Z 代表氢原子、具有 1-6 个碳原子的低级烷基、芳基、羟基或具有 1-6 个碳原子的低级烷氧基）；条件是 R₄、R₅、R₆ 和 R₇ 彼此相同或独立。 本发明的化合物有望有效地用作预防和治疗平滑肌收缩引起的各种症状、预防和治疗循环系统疾病以及预防和治疗癫痫的药物。
• US5296492A
  申请人：——

  公开号：US5296492A

  公开（公告）日：1994-03-22
• Certain chroman derivatives useful for treating symptoms caused by
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US05296492A1

  公开（公告）日：1994-03-22

  A chroman derivative represented by the following general formula [1]: ##STR1## wherein R.sub.1 represents cyano group, nitro group, halogenomethyl group or --SO.sub.2 --X group (X represents lower alkyl group having 1-6 carbon atoms or aryl group); R.sub.2 represents hydrogen atom or OA group (A represents hydrogen atom, nitro group, lower acyl group having 1-6 carbon atoms, arylcarbonyl group, lower alkylsulfonyl group having 1-6 carbon atoms, arylsulfonyl group, arylalkyl group, tetrahydropyranyl group, lower alkoxycarbonyl group having 1-6 carbon atoms, arylalkoxycarbonyl group or silyl derivative group); R.sub.3 singly represents a hydrogen atom; or R.sub.3 forms a bond jointly with R.sub.2 ; and R.sub.4, R.sub.5, R.sub.6 and R.sub.7 each represent hydrogen atom, vinyl group, formyl group, --Y--(OA).sub.n group (Y represents straight or branched chain alkylene group having 1-6 carbon atoms or lower alkenyl group having 1-6 carbon atoms, A is as defined above, and n represents an integer of 1-3. The compound of this invention is expected to be effectively usable as an agent for treatment of various symptoms due to the contraction of smooth muscles, for treatment of the diseases of the circulatory system and for treatment of epilepsy.

  以下是通用公式[1]表示的一种色酮衍生物：##STR1##其中R.sub.1代表氰基、硝基、卤代甲基基团或--SO.sub.2--X基团（X代表具有1-6个碳原子的较低烷基基团或芳基团）；R.sub.2代表氢原子或OA基团（A代表氢原子、硝基、具有1-6个碳原子的较低酰基基团、芳基羰基基团、具有1-6个碳原子的较低烷基磺酰基团、芳基磺酰基团、芳基烷基基团、四氢吡喃基团、具有1-6个碳原子的较低烷氧羰基团、芳基烷氧羰基团或硅基衍生物基团）；R.sub.3单独代表氢原子；或R.sub.3与R.sub.2共同形成键；而R.sub.4、R.sub.5、R.sub.6和R.sub.7分别代表氢原子、乙烯基、甲酰基、--Y--(OA).sub.n基团（Y代表具有1-6个碳原子的直链或支链烷基基团或具有1-6个碳原子的较低烯基基团，A如上定义，n代表1-3的整数）。本发明的化合物预计可有效用作治疗由于平滑肌收缩引起的各种症状的药剂，治疗循环系统疾病和治疗癫痫。