(S)-1-[1-(2-fluoroethyl)-6-oxo-1,6-dihydropyridazin-3-yl]indoline-2-carboxylic acid | 899825-75-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (S)-1-[1-(2-fluoroethyl)-6-oxo-1,6-dihydropyridazin-3-yl]indoline-2-carboxylic acid
• 英文别名: (2S)-1-[1-(2-fluoroethyl)-6-oxopyridazin-3-yl]-2,3-dihydroindole-2-carboxylic acid
• CAS: 899825-75-3
• 化学式: C₁₅H₁₄FN₃O₃
• 分子量: 303.293
• InChiKey: TYWLYUBLDIZCAY-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1840126A1

  公开（公告）日：2007-10-03

  A compound of the following formula (I): wherein A is a group of the following formula (I-A): wherein X is an oxygen atom or a sulfur atom, R4 is a hydrogen atom, a C1-6 alkyl group, or other, R5 is a hydrogen atom or other; or a heteroaryl group or other optionally substituted with a halogen, a C1-6 alkyl, a C1-6 alkoxy, or other; R1 and R2 are the same or different and are a hydrogen atom, a C1-6 alkyl group or other; R3 is a hydrogen atom, a halogen atom, a C1-6 alkoxy group, or other; Ra and Rb are the same or different and are a hydrogen atom or a C1-6 alkyl group; and n is an integer of 0-5; or a pharmaceutically acceptable acid addition salt thereof, which can selectively act on mitochondrial benzodiazepine receptor and is useful as a medicament for treating/preventing anxiety disorder, depression, epilepsy, dementia, and so on.

  以下是公式（I）的化合物： 其中A是以下公式（I-A）的一个基团： 其中X是氧原子或硫原子，R4是氢原子，C1-6烷基或其他，R5是氢原子或其他；或者是杂环基团或其他，可选择地取代有卤素、C1-6烷基、C1-6烷氧基或其他；R1和R2相同或不同，是氢原子、C1-6烷基或其他；R3是氢原子、卤素原子、C1-6烷氧基或其他；Ra和Rb相同或不同，是氢原子或C1-6烷基；n是0-5的整数；或其药学上可接受的酸盐，可选择性地作用于线粒体苯二氮卓受体，用作治疗/预防焦虑症、抑郁症、癫痫、痴呆等疾病的药物。
• 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same
  申请人：Kondo Katsunori

  公开号：US20080221114A1

  公开（公告）日：2008-09-11

  A compound of the following formula (I): wherein A is a group of the following formula (I-A): wherein X is an oxygen atom or a sulfur atom, R 4 is a hydrogen atom, a C 1-6 alkyl group, or other, R 5 is a hydrogen atom or other; or a heteroaryl group or other optionally substituted with a halogen, a C 1-6 alkyl, a C 1-6 alkoxy, or other; R 1 and R 2 are the same or different and are a hydrogen atom, a C 1-6 alkyl group or other; R 3 is a hydrogen atom, a halogen atom, a C 1-6 alkoxy group, or other; R a and R b are the same or different and are a hydrogen atom or a C 1-6 alkyl group; and n is an integer of 0-5; or a pharmaceutically acceptable acid addition salt thereof, which can selectively act on mitochondrial benzodiazepine receptor and is useful as a medicament for treating/preventing anxiety disorder, depression, epilepsy, dementia, and so on.

  以下化合物的化学式(I)，其中A是以下化学式(I-A)的基团：其中X是氧原子或硫原子，R4是氢原子，C1-6烷基或其他，R5是氢原子或其他；或是杂环芳基或其他，可选择地用卤素，C1-6烷基，C1-6烷氧基或其他取代；R1和R2相同或不同，是氢原子，C1-6烷基或其他；R3是氢原子，卤素原子，C1-6烷氧基或其他；Ra和Rb相同或不同，是氢原子或C1-6烷基；n是0-5的整数；或其药学上可接受的酸加盐，可选择性地作用于线粒体苯二氮䓬受体，用作治疗/预防焦虑症、抑郁症、癫痫、痴呆症等药物。