9-methoxy-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol | 477977-46-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 9-methoxy-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol
• 英文别名: 3-Hydroxy-13-methoxy-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene
• CAS: 477977-46-1
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: IUZAWGYAQVNELI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-methoxy-2-(pyridin-4-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol 在 palladium 10% on activated carbon 三氯化磷 、 甲酸铵 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 4.0h， 生成 13-methoxy-4-pyridin-4-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
  参考文献：
  名称：

  EP1403256

  摘要：

  公开号：
• 作为产物：
  描述：

  3-methoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-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-methoxy-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。
• EP1403256
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.