{1-[2-(1-benzyl-6-nitro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl}(phenyl)methanone | 934224-75-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: {1-[2-(1-benzyl-6-nitro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl}(phenyl)methanone
• 英文别名: [1-[2-(1-Benzyl-6-nitroindol-3-yl)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]-phenylmethanone
• CAS: 934224-75-6
• 化学式: C₃₀H₂₈F₃N₃O₄
• 分子量: 551.565
• InChiKey: VHGHFBRRSQGHPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  {1-[2-(1-benzyl-6-nitro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl}(phenyl)methanone 在 palladium 10% on activated carbon 甲酸铵 作用下， 以 乙醇 为溶剂， 反应 2.5h， 生成 {1-[2-(6-amino-1-benzyl-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl}(phenyl)methanone
  参考文献：
  名称：

  WO2007/40166

  摘要：

  公开号：

文献信息

• NOVEL FUSED PYROLE DERIVATIVE
  申请人：Sone Toshihiko

  公开号：US20100190768A1

  公开（公告）日：2010-07-29

  The present invention relates to a compound represented by the formula (1) which is useful as a glucocorticoid receptor function regulating agent, an anti-inflammatory agent or an antidiabetic agent, or a pharmaceutically acceptable salt thereof: wherein R 1 is aralkyl, etc.; R 2 is H, etc.; —W 4 ═W 5 —W 6 ═W 7 — is a group of the formula: —CR 4 ═CR 5 —CR 6 ═CR 7 — (in which R 4 , R 5 , R 6 and R 7 are independently a group of the formula: -E-A (E is a single bond, etc., A is H or nitro, etc.)), etc.; R 8 is a group of the formula: —OR 11 (R 11 is H, etc.), etc.; R 9 is trifluoromethyl, etc.; R 10 is a group of the formula: —[C(R 13 )(R 14 )] n —R 15 (R 13 and R 14 are independently H, etc., n is an integer of 0 to 10, R 15 is a group of the formula: N(R 18 )R 19 (R 18 and R 19 form a nitrogen-containing heteromonocycle together with a nitrogen atom to which they are bonded), etc.).

  本发明涉及一种化合物，其化学式为(1)，它可作为糖皮质激素受体功能调节剂、抗炎剂或抗糖尿病剂，或其药学上可接受的盐使用：其中R1为芳基烷基等；R2为H等；-W4═W5-W6═W7-为以下式的基团：-CR4═CR5-CR6═CR7-(其中R4、R5、R6和R7独立地为以下式的基团：-E-A(E为单键等，A为H或硝基等))等；R8为以下式的基团：-OR11(R11为H等)等；R9为三氟甲基等；R10为以下式的基团：-[C(R13)(R14)]n-R15(R13和R14独立地为H等，n为0到10的整数，R15为以下式的基团：N(R18)R19(R18和R19与它们连接的氮原子一起形成含氮杂单环)等。
• NOVEL FUSED PYRROLE DERIVATIVE
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1930320A1

  公开（公告）日：2008-06-11

  The present invention relates to a compound represented by the formula (1) which is useful as a glucocorticoid receptor function regulating agent, an anti-inflammatory agent or an antidiabetic agent, or a pharmaceutically acceptable salt thereof: wherein R1 is aralkyl, etc.; R2 is H, etc.; -W4=W5-W6=W7- is a group of the formula: -CR4=CR5-CR6=CR7- (in which R4, R5, R6 and R7 are independently a group of the formula: -E-A (E is a single bond, etc., A is H or nitro, etc.)), etc.; R8 is a group of the formula: -OR11 (R11 is H, etc.), etc.; R9 is trifluoromethyl, etc.; R10 is a group of the formula: -[C(R13)(R14)]n-R15 (R13 and R14 are independently H, etc., n is an integer of 0 to 10, R15 is a group of the formula: N(R18)R19 (R18 and R19 form a nitrogen-containing heteromonocycle together with a nitrogen atom to which they are bonded), etc.).

  本发明涉及一种由式（1）表示的化合物，它可用作糖皮质激素受体功能调节剂、抗炎剂或抗糖尿病剂，或其药学上可接受的盐： 其中 R1 是芳烷基等；R2 是 H 等；-W4=W5-W6=W7- 是式中的基团：-CR4=CR5-CR6=CR7-（其中 R4、R5、R6 和 R7 独立地是式子中的一个基团：-E-A（E 是单键等，A 是 H 或硝基等））等； R8 是式中的基团：-OR11（R11 是 H 等）等； R9 是三氟甲基等； R10 是式中的基团：-[C(R13)(R14)]n-R15（R13 和 R14 独立地为 H 等，n 为 0 至 10 的整数，R15 为式中的基团：N(R18)R19（R18 和 R19 与它们键合的氮原子一起形成含氮杂单环）等）。