9-fluoro-2-[4-(2-dimethylaminopropoxy)phenyl]-5,6-dihydrobenzo[h]cinnolin-3(2H)-one.fumarate | 123575-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 9-fluoro-2-[4-(2-dimethylaminopropoxy)phenyl]-5,6-dihydrobenzo[h]cinnolin-3(2H)-one.fumarate
• 英文别名: 9-Fluoro-2-(4-(2-dimethylaminopropoxy)phenyl)-5,6-dihydrobenzo(h)cinnolin-3(2H)-one fumarate；(E)-but-2-enedioic acid;2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-5,6-dihydrobenzo[h]cinnolin-3-one
• CAS: 123575-22-4
• 化学式: C₄H₄O₄*C₂₃H₂₄FN₃O₂
• 分子量: 509.534
• InChiKey: BZPHKELBMUVEBR-WLHGVMLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  hydrobromic acid-acetic acid 、 9-fluoro-2-[4-(2-dimethylaminopropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3(2H)-one 、 富马酸 生成 9-fluoro-2-[4-(2-dimethylaminopropoxy)phenyl]-5,6-dihydrobenzo[h]cinnolin-3(2H)-one.fumarate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0351435A1

  公开（公告）日：1990-01-24

  Novel fused pyridazine compounds represented by general formula (1) (wherein R1, R2, R3 and R4, which may be the same or different, each represents hydrogen, halogen, hydroxy, nitro, amino, cyano, trifluoromethyl, alkyl, alkoxy or alkanoylamino, one of Ra and Rb represents -O-Y-NR5R6, (wherein R5 and R6, which may be the same or different, each represents hydrogen, alkyl, phenylalkyl or substituted phenylalkyl or, when taken together, R5 and R6 represent a group capable of forming a heterocyclic ring together with the adjacent nitrogen atom, and Y represents straight-chain or branched alkylene optionally having hydroxy group(s) on the chain as the substituent) and the other represents H, or Ra and Rb, which may be the same or different, each represents -0-Y-NR5R6 (wherein R5 and R6 are as defined above), W represents = CH- or = N-, X represents CH2, S, SO, SO2 or 0, and the bond represented by a dotted line represents a single bond or a double bond), pharmaceutically acceptable salts or hydrates thereof and their medicinal uses are disclosed. These compounds have the action of increasing phagocytosis of leucocytes, that of increasing phagocytosis of macrophage, that of restoring the number of leucocytes, an infection protective action, an antitumor action, etc., and can be used for prophylaxis or treatment of diseases including human immunodeficiency.

  通式(1)代表的新型融合哒嗪化合物（其中R1、R2、R3和R4可以相同或不同，各自代表氢、卤素、羟基、硝基、氨基、氰基、三氟甲基、烷基、烷氧基或烷酰氨基，Ra和Rb之一代表-O-Y-NR5R6、(其中 R5 和 R6 可以相同或不同，各自代表氢、烷基、苯基烷基或取代的苯基烷基，或当 R5 和 R6 合在一起时，代表能与相邻氮原子一起形成杂环的基团、Y代表直链或支链亚烷基，可选择在链上具有羟基作为取代基），另一个代表H，或Ra和Rb，它们可以相同或不同，各自代表-0-Y-NR5R6（其中R5和R6如上定义），W代表＝CH-或＝N-，X代表CH2、S、SO、SO2或0，虚线代表的键代表单键或双键），公开了其药学上可接受的盐或水合物及其医药用途。这些化合物具有增加白细胞的吞噬作用、增加巨噬细胞的吞噬作用、恢复白细胞数量的作用、感染保护作用、抗肿瘤作用等，可用于预防或治疗包括人类免疫缺陷在内的疾病。
• US5045541A
  申请人：——

  公开号：US5045541A

  公开（公告）日：1991-09-03