2-(4-Chloro-phenyl)-2,4,4a,5-tetrahydro-indeno[1,2-c]pyridazin-3-one | 130921-92-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(4-Chloro-phenyl)-2,4,4a,5-tetrahydro-indeno[1,2-c]pyridazin-3-one
• 英文别名: 2-(4-chlorophenyl)-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-one
• CAS: 130921-92-5
• 化学式: C₁₇H₁₃ClN₂O
• 分子量: 296.756
• InChiKey: FXKYKKQPMGSEMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 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：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-Chloro-phenyl)-2,4,4a,5-tetrahydro-indeno[1,2-c]pyridazin-3-one 在 溴 作用下， 以 溶剂黄146 为溶剂， 反应 0.25h， 以50%的产率得到2-(4-Chloro-phenyl)-2,5-dihydro-indeno[1,2-c]pyridazin-3-one
  参考文献：
  名称：

  Synthesis and structure–affinity relationships at the central benzodiazepine receptor of pyridazino[4,3- b ]indoles and Indeno[1,2- c ]pyridazines

  摘要：

  A series of 2-aryl-3-chloro-2H-pyridazino[4,3-b]indoles, 2-aryl-3-methoxy-2H-pyridazino[4,3-b]indoles, and 2-aryl-2,5-dihydroindeno[1,2-c]pyridazino-3(3H)-ones has been prepared and tested for their ability to inhibit the [3H]flunitrazepam binding to the central benzodiazepine receptor. SAR are presented and discussed in comparison with existing pharmacophore models. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00093-0
• 作为产物：
  描述：

  (1-oxo-2-indanyl)acetic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 3.5h， 生成 2-(4-Chloro-phenyl)-2,4,4a,5-tetrahydro-indeno[1,2-c]pyridazin-3-one
  参考文献：
  名称：

  Synthesis and structure–affinity relationships at the central benzodiazepine receptor of pyridazino[4,3- b ]indoles and Indeno[1,2- c ]pyridazines

  摘要：

  A series of 2-aryl-3-chloro-2H-pyridazino[4,3-b]indoles, 2-aryl-3-methoxy-2H-pyridazino[4,3-b]indoles, and 2-aryl-2,5-dihydroindeno[1,2-c]pyridazino-3(3H)-ones has been prepared and tested for their ability to inhibit the [3H]flunitrazepam binding to the central benzodiazepine receptor. SAR are presented and discussed in comparison with existing pharmacophore models. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00093-0

文献信息

• NAKAO, TOHRU;KAWAKAMI, MINORU;MORITA, KENJI;MORIMOTO, YASUTO;TAKEHARA, SH+, YAKUGAKU DZASSI, 110,(1990) N, S. 561-572
  作者：NAKAO, TOHRU、KAWAKAMI, MINORU、MORITA, KENJI、MORIMOTO, YASUTO、TAKEHARA, SH+

  DOI：——

  日期：——
• [EN] NOVEL ARYL-PYRIDAZINES<br/>[FR] NOUVEAUX ARYLE-PYRIDAZINES
  申请人：ASTRA PHARMACEUTICALS LTD.

  公开号：WO1998009969A1

  公开（公告）日：1998-03-12

  (EN) Use of a compound of formula (I) wherein, A, A1, A2 and A3 are all CH or CR4 or one of A, A1, A2 or A3 is nitrogen and the others are all CH or CR4; Ar1 and Ar2 are independently phenyl, pyridyl, benzothiazolyl, quinolyl or quinoxalinyl all of which are optionally substituted by one or more substituents, X, Y, Z, R1, R2, R3, R4 are as described in the specification or a pharmaceutically acceptable derivative thereof in the manufacture of a medicament for the treatment of an allergic or an inflammatory condition.(FR) L'invention concerne un composé selon la formle (I). Dans cette dernière, A, A1, A2 et A3 sont tous CH ou CR4 ou un élément parmi A, A1, A2 ou A3 est de l'azone et les autres sont tous CH ou CR4. Ar1 et Ar2 représentent, indépendamment, phényle, pyridyle, benzothiazolyle, quinolyle ou quinoxalinyle, tous éventuellement substitués par un ou plusieurs substituents. X, Y, Z, R1, R2, R3, R4 sont tels que définis dans le descriptif, ou un dérivé pharmaceutiquement acceptable de ce dernier dans la fabrication d'un médicament pour le traitement des allergies ou des inflammations.
• Synthesis and structure–affinity relationships at the central benzodiazepine receptor of pyridazino[4,3- b ]indoles and Indeno[1,2- c ]pyridazines
  作者：F Campagna、F Palluotto、A Carotti、G Casini、G Genchi

  DOI：10.1016/s0968-0896(99)00093-0

  日期：1999.8

  A series of 2-aryl-3-chloro-2H-pyridazino[4,3-b]indoles, 2-aryl-3-methoxy-2H-pyridazino[4,3-b]indoles, and 2-aryl-2,5-dihydroindeno[1,2-c]pyridazino-3(3H)-ones has been prepared and tested for their ability to inhibit the [3H]flunitrazepam binding to the central benzodiazepine receptor. SAR are presented and discussed in comparison with existing pharmacophore models. (C) 1999 Elsevier Science Ltd. All rights reserved.