exo-3-[3-bromo-(2-thienyl)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane | 216853-69-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: exo-3-[3-bromo-(2-thienyl)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane
• 英文别名: 3-(3-Bromothiophen-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
• CAS: 216853-69-9
• 化学式: C₁₂H₁₆BrNOS
• 分子量: 302.235
• InChiKey: MDCUWSFZTKWLTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  51.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives
  申请人：——

  公开号：US20020035122A1

  公开（公告）日：2002-03-21

  The present invention relates to novel 8-azabicyclo[3.2.1.]oct-2-ene and -octane derivatives which are found to be cholinergic ligands at the nicotinic Acetyl Choline Receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neurodegeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of chemical substances.

  本发明涉及新颖的8-azabicyclo［3.2.1.］辛-2-烯和-辛烷衍生物，发现它们在尼古丁乙酰胆碱受体上是胆碱能配体。由于它们的药理特性，本发明的化合物可能有助于治疗与中枢神经系统（CNS）的胆碱能系统、平滑肌收缩、内分泌疾病、神经退行性疾病、炎症、疼痛以及由化学物质终止引起的戒断症状等多种疾病或紊乱。
• 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field
  申请人：NEUROSEARCH A/S

  公开号：US20040116703A1

  公开（公告）日：2004-06-17

  The present invention relates to novel 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives which are found to be cholinergic ligands at the nicotinic Acetyl Choline Receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neurodegeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型的8-氮杂双环[3.2.1]辛-2-烯和-辛烷衍生物，这些衍生物被发现是乙酰胆碱受体的胆碱能配体。由于它们的药理特性，本发明的化合物可能对与中枢神经系统（CNS）的胆碱能系统相关的疾病或障碍，平滑肌收缩相关的疾病或障碍，内分泌疾病或障碍，神经退行性疾病或障碍，炎症、疼痛以及因滥用化学物质而引起的戒断症状等多种疾病或障碍的治疗有用。
• 8-azabicyclo(3.2.1)oct-2-ene derivatives and their use as nAChR ligands
  申请人：NEUROSEARCH A/S

  公开号：EP1382605A2

  公开（公告）日：2004-01-21

  The present invention relates to novel 8-azabicyclo[3.2.1]oct-2-ene derivatives which are found to be cholinergic ligands at the nicotinic Acetyl Choline Receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neurodegeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及新型 8-氮杂双环[3.2.1]辛-2-烯衍生物，发现它们是烟碱乙酰胆碱受体的胆碱能配体。 由于其药理特性，本发明化合物可用于治疗各种疾病或紊乱，如与中枢神经系统（CNS）胆碱能系统有关的疾病或紊乱、与平滑肌收缩有关的疾病或紊乱、内分泌疾病或紊乱、与神经变性有关的疾病或紊乱、与炎症有关的疾病或紊乱、疼痛以及终止滥用化学物质引起的戒断症状。
• 8-Azabicyclo(3,2,1)oct-2 ene and octane derivatives as cholinergic ligands at nicotinic ACh receptors
  申请人：NeuroSearch A/S

  公开号：US20040019207A1

  公开（公告）日：2004-01-29

  The present invention discloses compounds of formula (1) any of its enantiomers or any mixture thereof, or a pharmaceutically acceptable salt thereof; wherein is a single or a double bond; R is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl or aralkyl; and R 1 is (a), wherein R 2 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, amino; or aryl which may be substituted one or more times with substituents selected from the group consisting of alkyl, cycloalkyl, cycloalkylalkyl alkenyl, alkynyl, alkoxy, cycloalkoxy, thioalkoxy, thiocycloalkoxy, methylenedioxy, aryloxy, halogen, CF 3 , OCF 3 , CN, amino, aminoacyl, nitro, aryl and a monocyclic 5 to 6-membered heteroaryl group; a monocyclic 5 to 6-membered heteroaryl group which may be substituted one or more times with substituents selected from the group consisting of alkyl, cycloalkyl, cycloalkylalkyl alkenyl, alkynyl, alkoxy, cycloalkoxy, thioalkoxy, thiocycloalkoxy, methylenedioxy, aryloxy, halogen, CF 3 , OCF 3 , CN, amino, nitro, aryl and a monocyclic 5 to 6-membred lieteroaryl group; or a bicyclic heteroaryl group composed of a monocyclic 5 to 6 membered heteroaryl group fused to a benzene ring or fused to another monocyclic 5 to 6-membered heteroaryl, all of which may be substituted one or more times with substituents selected from the group consisting of alkyl, cycloalkyl cycloalkylalkyl alkenyl, alkynyl, alkoxy, cycloalkoxy, thioalkoxy, thiocycloalkoxy methylenedioxy, aryloxy, halogen, CF 3 , OCF 3 , CN, amino, nitro, aryl and a monocyclic 5 to 6-membered heteroaryl group. The compounds of the invention are useful as nicotinic ACh receptor ligands. 1

  本发明公开了式(1)化合物的任何对映体或其任何混合物，或其药学上可接受的盐； 其中 是单键或双键；R 是氢、烷基、烯基、炔基、环烷基、环烷基烷基、芳基或芳烷基；以及 R 1 是 (a)，其中 R 2 是氢、烷基、烯基、炔基、环烷基、环烷烃基、氨基；或芳基，可被选自以下组别的取代基一次或多次取代：烷基、环烷基、环烷烃基、烯基、炔基、烷氧基、环烷氧基、硫代烷氧基、硫代环烷氧基、亚甲基二氧基、芳氧基、卤素、CF 3 、OCF 3 烷基、环烷基、环烷基烯基、炔基、烷氧基、环烷氧基、硫代烷氧基、硫代环烷氧基、亚甲基二氧基、芳氧基、卤素、CF 3、OCF 3、CN、氨基、氨基酰基、硝基、芳基和单环 5 至 6 元杂芳基；单环 5 至 6 元杂芳基，可被选自以下组别的取代基一次或多次取代：烷基、环烷基、环烷基烯基、炔基、烷氧基、环烷氧基、硫代烷氧基、亚甲基二氧基、芳氧基、卤素、CF 3、OCF 3、CN、氨基、氨基酰基、硝基、芳基和单环 5 至 6 元杂芳基。 3 、OCF 3 、CN、氨基、硝基、芳基和单环 5 至 6 嵌段杂芳基；或双环杂芳基，由与苯环融合的单环 5-6 位杂芳基或与另一个单环 5-6 位杂芳基融合的单环 5-6 位杂芳基组成，所有这些杂芳基可被选自以下组别的取代基一次或多次取代：烷基、环烷基环烷基烯基、炔基、烷氧基、环烷氧基、硫代烷氧基、硫代环烷氧基亚甲基二氧基、芳氧基、卤素、CF 3 OCF 3 、CN、氨基、硝基、芳基和单环 5 至 6 元杂芳基。本发明的化合物可用作烟碱 ACh 受体配体。 1
• 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS
  申请人：NEUROSEARCH A/S

  公开号：EP0984965A1

  公开（公告）日：2000-03-15