3-chloro-5-nitro-4-vinylisoquinoline | 888793-06-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-chloro-5-nitro-4-vinylisoquinoline
• 英文别名: 3-Chloro-5-nitro-4-vinylisoquinoline；3-chloro-4-ethenyl-5-nitroisoquinoline
• CAS: 888793-06-4
• 化学式: C₁₁H₇ClN₂O₂
• 分子量: 234.642
• InChiKey: ZVFZSKZWKUTMGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-nitro-4-vinylisoquinoline N-oxide 在 三氯氧磷 、 sodium hydroxide 作用下， 以 氯仿 、 水 为溶剂， 反应 1.0h， 生成 1-chloro-5-nitro-4-vinylisoquinoline 、 3-chloro-5-nitro-4-vinylisoquinoline
  参考文献：
  名称：

  Nitrogen-containing tricyclic compounds

  摘要：

  以下式（1）表示的新化合物或其盐[其中R1、R5、R6、R7和R8代表氢原子、卤素原子、羟基、烷基、烯基等；X1...X2代表—CH(R2)—CH(R3)—、—CH(R2)—CH(R3)—CH(R4)—、—C(R2)=C(R3)—或—C(R2)=C(R3)—CH(R4)—(R2、R3和R4代表氢原子或烷基)；A1、A11、A2和A21代表氢原子或烷基；Y代表—CH(A3)-、—CH(A3)-C(A4)(A41)-、—CH(A3)-C(A4)(A41)-C(A5)(A51)-或单一键（A3、A4、A41、A5和A51代表氢原子或烷基），Z代表羟基或—N(A6)(A61)(A6代表氢原子或烷基，A61代表氢原子、烷基、取代烷基等)]具有强烈抑制肌球蛋白调节轻链磷酸化的作用。

  公开号：

  US20060247266A1

文献信息

• NITROGENEOUS TRICYCLIC COMPOUND
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP1829876A1

  公开（公告）日：2007-09-05

  A novel compound represented by the following formula (1) or a salt thereof [wherein R1, R5, R6, R7, and R8 represent hydrogen atom, a halogen atom, hydroxyl group, an alkyl group, an alkenyl group and the like; X1···X2 represents -CH(R2)-CH(R3)-, -CH(R2)-CH(R3)-CH(R4)-, -C(R2)=C(R3)-, or -C(R2)=C(R3)-CH(R4)- (R2, R3, and R4 represent hydrogen atom, or an alkyl group); A1, A11, A2, and A21 represent hydrogen atom, or an alkyl group; Y represents -CH(A3)-, -CH(A3)-C(A4)(A41)-, -CH(A3)-C(A4)(A41)-C(A5)(A51)-, or a single bond (A3, A4, A41, A5, and A51 represent hydrogen atom, or an alkyl group), and Z represents hydroxyl group, or -N(A6)(A61) (As represents hydrogen atom, or an alkyl group, and A61 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like)], having an action of potently inhibiting phosphorylation of myosin regulatory light chain.

  由下式(1)代表的新型化合物或其盐[其中R1、R5、R6、R7和R8代表氢原子、卤素原子、羟基、烷基、烯基等；X1---X2代表-CH(R2)-CH(R3)-、-CH(R2)-CH(R3)-CH(R4)-、-C(R2)=C(R3)-或-C(R2)=C(R3)-CH(R4)-（R2、R3和R4代表氢原子或烷基）；A1、A11、A2和A21代表氢原子或烷基；Y 代表 -CH(A3)-、-CH(A3)-C(A4)(A41)-、-CH(A3)-C(A4)(A41)-C(A5)(A51)- 或单键（A3、A4、A41、A5 和 A51 代表氢原子或烷基），Z 代表羟基或 -N(A6)(A61) （As 代表氢原子、或烷基，A61 代表氢原子、烷基、取代的烷基等）]，具有有效抑制肌球蛋白调节轻链磷酸化的作用。
• AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME
  申请人：Renovis, Inc.

  公开号：EP1863757A2

  公开（公告）日：2007-12-12
• [EN] AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME<br/>[FR] DERIVES D'AMIDE UTILISES COMME LIGANDS DES CANAUX IONIQUES ET COMPOSITIONS PHARMACEUTIQUES ET PROCEDES D'UTILISATION DE CEUX-CI
  申请人：RENOVIS INC

  公开号：WO2006099410A2

  公开（公告）日：2006-09-21

  [EN] Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.
  [FR] L'invention concerne des composés de formule (I). Ceux-ci peuvent être préparés sous la forme de compositions pharmaceutiques et peuvent être utilisés dans la prévention et le traitement d'une palette d'états, tels que, et sans caractère restrictif, des douleurs, des inflammations, des blessures traumatiques et analogues chez des mammifères, notamment des êtres humains.
• Nitrogen-containing tricyclic compounds
  申请人：Yamada Rintaro

  公开号：US20060247266A1

  公开（公告）日：2006-11-02

  A novel compound represented by the following formula (1) or a salt thereof [wherein R 1 , R 5 , R 6 , R 7 , and R 8 represent hydrogen atom, a halogen atom, hydroxyl group, an alkyl group, an alkenyl group and the like; X 1 . . . X 2 represents —CH(R 2 )—CH(R 3 )—, —CH(R 2 )—CH(R 3 )—CH(R 4 )—, —C(R 2 )═C(R 3 )—, or —C(R 2 )═C(R 3 )—CH(R 4 )—(R 2 , R 3 , and R 4 represent hydrogen atom, or an alkyl group); A 1 , A 11 , A 2 , and A 21 represent hydrogen atom, or an alkyl group; Y represents —CH(A 3 )-, —CH(A 3 )-C(A 4 )(A 41 )-, —CH(A 3 )-C(A 4 )(A 41 )-C(A 5 )(A 51 )-, or a single bond (A 3 , A 4 , A 41 , A 5 , and A 51 represent hydrogen atom, or an alkyl group), and Z represents hydroxyl group, or —N(A 6 )(A 61 )(A 6 represents hydrogen atom, or an alkyl group, and A 61 represents hydrogen atom, an alkyl group, a substituted alkyl group and the like)], having an action of potently inhibiting phosphorylation of myosin regulatory light chain.

  以下式（1）表示的新化合物或其盐[其中R1、R5、R6、R7和R8代表氢原子、卤素原子、羟基、烷基、烯基等；X1...X2代表—CH(R2)—CH(R3)—、—CH(R2)—CH(R3)—CH(R4)—、—C(R2)=C(R3)—或—C(R2)=C(R3)—CH(R4)—(R2、R3和R4代表氢原子或烷基)；A1、A11、A2和A21代表氢原子或烷基；Y代表—CH(A3)-、—CH(A3)-C(A4)(A41)-、—CH(A3)-C(A4)(A41)-C(A5)(A51)-或单一键（A3、A4、A41、A5和A51代表氢原子或烷基），Z代表羟基或—N(A6)(A61)(A6代表氢原子或烷基，A61代表氢原子、烷基、取代烷基等)]具有强烈抑制肌球蛋白调节轻链磷酸化的作用。