isoquinoline-5-sulphonic acid piperidin-3-ylamide | 842135-73-3

• 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: isoquinoline-5-sulphonic acid piperidin-3-ylamide
• 英文别名: N-piperidin-3-ylisoquinoline-5-sulfonamide
• CAS: 842135-73-3
• 化学式: C₁₄H₁₇N₃O₂S
• 分子量: 291.374
• InChiKey: UACRIYVXOGJYRG-UHFFFAOYSA-N

物化性质

• 沸点：
  509.5±60.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  79.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基哌啶盐酸盐 、 异喹啉-5-磺酰氯盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到isoquinoline-5-sulphonic acid piperidin-3-ylamide
  参考文献：
  名称：

  [EN] SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B
  [FR] COMPOSES PHARMACEUTIQUES

  摘要：

  公开号：

  WO2005011697A3

文献信息

• Isoquinoline derivatives
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0287696B1

  公开（公告）日：1991-01-02
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2005011697A2

  公开（公告）日：2005-02-10

  The invention provides compounds for the prophylaxis or treatment of a disease state or condition mediated by protein kinase A or protein kinase B, the compounds having the formula (I°), or being salts or solvates thereof. In formula (I°), n is 0 or 1; A and E are alkylene 2-3 carbon atoms in length optionally substituted by R11 and -X-CH(R6)(R7); G is hydrogen when n is 0 and, when n is 1, G is hydrogen or -X-CH(R6)(R7); R1 is an aryl or heteroaryl group having 5-12 ring members; R2 and R4 are selected from hydrogen, R7, R11 and CH(R6)(R7); R3, R3a and R5 are selected from hydrogen, R11 and -X-CH(R6)(R7); or any one pair or any two non-overlapping pairs selected from R2 and R3; R3 and R4; R2 and R5; R3 and R5; R4 and R5; R3 and R8; and R4 and R8 are linked together in a ring and together form an alkylene chain of 1-5 carbon atoms in length which may be optionally substituted by R11 and -X-CH(R6)(R7); or the pair R2 and R4 are linked together in a ring and together form an alkylene chain of 2-5 carbon atoms in length which may be optionally substituted by R11 and -X-CH(R6)(R7); and optionally R3 and R3a may be linked together in a ring and together form an alkylene chain of 1-6 carbon atoms in length which may be optionally substituted by R11 and -X-CH(R6)(R7); or R6 and R7 together with the carbon atom to which they are attached form a cyclic group having 5-12 ring members; X, R6, R7, R8, R9, R10 and R11 are each as defined in claim 1; and wherein the definitions of, A, E, G, X, n and R1 to R11 are subject to the provisos set ou in claim 1.
• [EN] SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2005011697A3

  公开（公告）日：2005-04-21