9-fluoro-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol | 477977-65-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 9-fluoro-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol
• 英文别名: 13-Fluoro-3-hydroxy-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene
• CAS: 477977-65-4
• 化学式: C₁₇H₁₄FN₃O
• 分子量: 295.316
• InChiKey: UJLUKMZMXHXCIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-fluoro-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol 在 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 9-fluoro-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulene
  参考文献：
  名称：

  Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives

  摘要：

  Novel tetrahydrodiazabenzazulene derivatives. designed from the lead compound 1 discovered by screening of our in-house chemical library, were prepared and found to be potent neuropeptide Y-Y5 (NPY-Y5) receptor antagonists. The structure-activity relationships are described. Compounds 7 (FR240662) and 16 (FR252384) were especially attractive owing to their high affinities for the NPY-Y5 receptors, oral absorption and permeability to brain. (C), 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00090-2
• 作为产物：
  描述：

  3-fluoro-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptan-6-one 在 盐酸 、 ammonium acetate 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 为溶剂， 生成 9-fluoro-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol
  参考文献：
  名称：

  Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives

  摘要：

  Novel tetrahydrodiazabenzazulene derivatives. designed from the lead compound 1 discovered by screening of our in-house chemical library, were prepared and found to be potent neuropeptide Y-Y5 (NPY-Y5) receptor antagonists. The structure-activity relationships are described. Compounds 7 (FR240662) and 16 (FR252384) were especially attractive owing to their high affinities for the NPY-Y5 receptors, oral absorption and permeability to brain. (C), 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00090-2

文献信息

• Fused imidazole derivative
  申请人：——

  公开号：US20040198791A1

  公开（公告）日：2004-10-07

  According to the present invention, fused imidazole derivatives of the general formula: 1 wherein R 1 is a hydrogen atom, a halogen atom, hydroxy group, a lower alkyl group or a lower alkoxy group, R 2 is an aryl group, benzodioxanyl group, or 5-6 membered, monocyclic, unsaturated, heterocyclic group containing nitrogen atom(s) which may be substituted with lower alkyl, trityl or oxo, R 3 is a hydrogen atom or hydroxy group, A is a group represented by the formula: —(CH 2 ) m — or —O—(CH 2 ) m — [wherein m is an integer of 1-3] and their salts are provided.

  根据本发明，提供了一般式为：1的熔融咪唑衍生物，其中R1为氢原子、卤素原子、羟基、低碳基或低氧基；R2为芳基、苯二氧基基团或含有氮原子的5-6成员单环不饱和杂环基团，可被低碳基、三苯基或氧代取代；R3为氢原子或羟基；A为以下式子所代表的基团：—(CH2)m—或—O—(CH2)m—[其中，m为1-3的整数]及其盐。
• FUSED IMIDAZOLE DERIVATIVE
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1403256A1

  公开（公告）日：2004-03-31

  According to the present invention, fused imidazole derivatives of the general formula: wherein R1 is a hydrogen atom, a halogen atom, hydroxy group, a lower alkyl group or a lower alkoxy group, R2 is an aryl group, benzodioxanyl group, or 5-6 membered, monocyclic, unsaturated, heterocyclic group containing nitrogen atom(s) which may be substituted with lower alkyl, trityl or oxo, R3 is a hydrogen atom or hydroxy group, A is a group represented by the formula : -(CH2)m - or -O-(CH2)m- [wherein m is an integer of 1-3] and their salts are provided.

  根据本发明，通式如下的融合咪唑衍生物 其中 R1 是氢原子、卤素原子、羟基、低级烷基或低级烷氧基、 R2 是芳基、苯并二恶烷基或含有氮原子的 5-6 位单环、不饱和杂环基团，可被低级烷基、三烷基或氧代取代、 R3 是氢原子或羟基，A 是由式：-(CH2)m-或-O-(CH2)m-[其中 m 为 1-3 的整数]。 以及它们的盐。
• Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives
  作者：Yoshinari Satoh、Chie Hatori、Harunobu Ito

  DOI：10.1016/s0960-894x(02)00090-2

  日期：2002.4

  Novel tetrahydrodiazabenzazulene derivatives. designed from the lead compound 1 discovered by screening of our in-house chemical library, were prepared and found to be potent neuropeptide Y-Y5 (NPY-Y5) receptor antagonists. The structure-activity relationships are described. Compounds 7 (FR240662) and 16 (FR252384) were especially attractive owing to their high affinities for the NPY-Y5 receptors, oral absorption and permeability to brain. (C), 2002 Elsevier Science Ltd. All rights reserved.