9-methoxy-2-(pyridin-3-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol | 477977-48-3

• 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-3-yl)-5,6-dihydro-4H-1,3-diazabenzo[e]azulen-1-ol
• 英文别名: 3-Hydroxy-13-methoxy-4-pyridin-3-yl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene
• CAS: 477977-48-3
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: KUJVUFLAIMZYIV-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-3-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-Methoxy-2-pyridin-3-yl-3,4,5,6-tetrahydro-1,3-diaza-benzo[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-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-3-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—( )m—[其中，m为1-3的整数]及其盐。
• Novel interleukin-1beta converting enzyme inhibitors
  申请人：The Procter & Gamble Company

  公开号：US20040014753A1

  公开（公告）日：2004-01-22

  The present invention relates to novel compounds, compositions comprising said compounds, and uses thereof, said compounds having the formula: 1 X is —CH 2 —, —O— or —NR 9 —; R is a carbocyclic or heterocyclic ring; R 1 is a cysteine trap; R 2a , R 2a′ , R 2b , and R 2b′ are each independently hydrogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, and mixtures thereof; or R 2a′ and R 2b′ can taken together to form a double bond; R 9 is hydrogen or a unit having the formula —L 2 —R 10 ; L is the same as defined herein above; R 10 is hydrogen; substituted or unsubstituted C 1 -C 6 linear; branched, or cyclic hydrocarbyl; substituted or unsubstituted aryl; substituted or unsubstituted C 1 -C 9 heterocyclic; and substituted or unsubstituted heteroaryl.

  本发明涉及新型化合物、包含该化合物的组合物以及其用途，该化合物的化学式为：1X为—CH2—、—O—或—NR9—；R为碳环或杂环；R1为半胱氨酸陷阱；R2a、R2a′、R2b和R2b′各自独立地为氢、C1-C4烷基、C1-C4烷氧基和其混合物；或R2a′和R2b′可以结合形成双键；R9为氢或具有式—L2—R10的基团；L与上述定义相同；R10为氢；取代或未取代的C1-C6直链、支链或环烃基；取代或未取代的芳基；取代或未取代的C1-C9杂环基；以及取代或未取代的杂芳基。