R-99692

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: R-99692
• 英文别名: 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-[(2-methylcyclopropyl)methyl]-1H-pyrrolo[2,3-d]pyridazine；7-(4-Fluorobenzyloxy)-2.3-dimethyl-1-[(1S,2S)-2-methylcyclopropylmethyl]pyrrolo[2,3-d]pyridazine；7-(4-Fluorobenzyloxy)-1-[(E)-2-methylcyclopropylmethyl]-2,3-dimethylpyrrolo[2,3-d]pyridazine；7-(4-fluorobenzyloxy)-2,3-dimethyl-1-(2-methylcyclopropylmethyl)pyrrolo[2,3-d]pyridazine；7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(2-methylcyclopropyl)methyl]pyrrolo[2,3-d]pyridazine
• 化学式: C₂₀H₂₂FN₃O
• 分子量: 339.413
• InChiKey: NXPLYKRKIFPEOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  R-99692 生成 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-{[(1S,2S)-2-methylcyclopropyl]methyl}-1H-pyrrolo[2,3-d]pyridazine 、 7-(4-fluorobenzyloxy)-2,3-dimethyl-1-[(1S,2S)-2-methylcyclopropylmethyl]pyrrolo[2,3-d]-pyridazine
  参考文献：
  名称：

  OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS

  摘要：

  公开号：

  EP1186607B1
• 作为产物：
  描述：

  对氟苯甲醇 、 7-chloro-2,3-dimethyl-1-(2-methylcyclopropylmethyl)pyrrolo[2,3-d]pyridazine 以56%的产率得到R-99692
  参考文献：
  名称：

  OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS

  摘要：

  公开号：

  EP1186607B1

文献信息

• Optically active pyrrolopyridazine derivatives
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20020156079A1

  公开（公告）日：2002-10-24

  An optically active pyrrolopyridazine compound of the formula (I) or a pharmaceutically acceptable salt thereof: 1 wherein R 1 is alkyl; R 2 and R 3 are each independently alkyl; R 4 is optionally substituted aryl; and A is imino, oxygen or sulfur. The pyrrolopyridazine compound or pharmaceutically acceptable salts thereof of the present invention exhibit excellent gastric acid secretory inhibition activity and gastric mucous membrane protection activity, as well as excellent antibacterial activity against Helicobacter pylori. They are useful medicines and are particularly useful for treating or preventing ulcerative diseases.

  式(I)的旋光异构的吡咯吡啶嗪化合物或其药学上可接受的盐： 其中R1是烷基；R2和R3各自独立地是烷基；R4是可选取代的芳基；A是亚胺基、氧原子或硫原子。本发明的吡咯吡啶嗪化合物或其药学上可接受的盐，表现出优异的胃酸分泌抑制活性和胃粘膜保护活性，以及对幽门螺杆菌的优异抗菌活性。它们是有用的药物，特别是用于治疗或预防溃疡性疾病。
• Pyrrolopyridazine compounds
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040014762A1

  公开（公告）日：2004-01-22

  A pyrrolopyridazine compound having the formula (I) or a pharmaceutically acceptable salt thereof: 1 wherein, R 1 is a C 2 -C 6 alkenyl group, a halogeno C 2 -C 6 alkenyl group, a C 3 -C 7 cycloalkyl group which may be optionally substituted or a C 3 -C 7 cycloalkyl- C 1 -C 6 alkyl group which may be optionally substituted. R 2 is a C 1 -C 6 alkyl group. R 3 is a hydroxymethyl group, a C 2 -C 6 aliphatic acyloxymethyl group, a C 6 -C 10 arylcarbonyloxymethyl group which may be optionally substituted, a C 1 -C 6 alkoxycarbonyloxymethyl group, a formyl group, a carboxyl group, a C 1 -C 6 alkoxycarbonyl group or a C 6 -C 10 aryloxycarbonyl group which may be optionally substituted. R 4 is a C 6 -C 10 aryl group which may be optionally substituted. A is an imino group, an oxygen atom or a sulfur atom. These compounds exhibit excellent gastric acid secretory inhibition activity and gastric mucous membrane protection activity etc. They are useful for prevention or treatment of ulcerative diseases and for Helicobacter pylori infections.

  一种具有以下式(I)或其药学上可接受的盐的吡咯吡啶化合物： 1其中，R1是C2-C6烯丙基，卤代C2-C6烯丙基，C3-C7环烷基，其可以选择性地取代或C3-C7环烷基-C1-C6烷基，其可以选择性地取代。R2是C1-C6烷基。R3是羟甲基，C2-C6脂肪酰氧甲基，C6-C10芳基羰基氧甲基，其可以选择性地取代，C1-C6烷氧羰基氧甲基，甲酰基，羧基，C1-C6烷氧羰基或C6-C10芳氧羰基，其可以选择性地取代。R4是C6-C10芳基，其可以选择性地取代。A是亚胺基，氧原子或硫原子。这些化合物表现出优异的胃酸分泌抑制活性和胃黏膜保护活性等。它们对于预防或治疗溃疡性疾病和幽门螺杆菌感染非常有用。
• PYRROLOPYRIDAZINE DERIVATIVE
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0742218A1

  公开（公告）日：1996-11-13

  Pyrrolopyridazine derivatives having the general formula. [In the above formula, R1 represents a C2-C6 alkenyl group, a halogeno-C2-C6-alkenyl group, a C6-C10 aryl-C2-C6-alkenyl group, a C2-C6 alkynyl group, a C3-C7 cycloalkyl group, a C3-C7 cycloalkyl-C1-C6-alkyl group, a C5-C7 cycloalkenyl-C1-C6-alkyl group or a halogeno-C1-C6-alkyl group; R2 and R3 are the same or different and each represents a hydrogen atom, a C1-C6 alkyl group or a C6-C10 aryl group; R4 represents a hydrogen atom or a C1-C6 alkyl group; R5 represents a C6-C10 aryl group or a 5-10 membered heteroaryl group comtaining heteroatom(s) selected from nitrogen, oxygen and sulfur; A represents a C1-C3 alkylene group; X represents an imino group, an oxygen atom, a sulfur atom or a methylene group; m represents 0 or 1; and n represents 0 or 1] or pharmaceutically acceptable salts thereof. [Effect] The pyrrolopyridazine derivatives of the present invention have an excellent gastric secretion inhibiting activity, gastric mucosa protective activity and antibacterial activity against Helicobacter pylori, and are useful as a preventive or therapeutic agent for ulcerous diseases.

  具有通式的吡咯哒嗪衍生物。 [在上式中，R1 代表 C2-C6 烯基、卤代-C2-C6-烯基、C6-C10 芳基-C2-C6-烯基、C2-C6 炔基、C3-C7 环烷基、C3-C7 环烷基-C1-C6-烷基、C5-C7 环烯基-C1-C6-烷基或卤代-C1-C6-烷基；R2 和 R3 相同或不同，各自代表氢原子、C1-C6 烷基或 C6-C10 芳基；R4 代表氢原子或 C1-C6 烷基；R5 代表 C6-C10 芳基或含有选自氮、氧和硫的杂原子的 5-10 位杂芳基； A代表C1-C3亚烷基；X代表亚氨基、氧原子、硫原子或亚甲基；m代表0或1；n代表0或1]。 或其药学上可接受的盐类。 效果 本发明的吡咯哒嗪衍生物具有良好的胃分泌抑制活性、胃黏膜保护活性和幽门螺旋杆菌抗菌活性，可作为溃疡病的预防或治疗剂。
• PYRROLOPYRIDAZINE COMPOUND
  申请人：Sankyo Company, Limited

  公开号：EP1254907B1

  公开（公告）日：2007-05-09
• NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS
  申请人：ALTANA Pharma AG

  公开号：EP1506016A2

  公开（公告）日：2005-02-16