3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydron;chloride;hydrate

• 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: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydron;chloride;hydrate
• 化学式: C16H26BrClN2O4
• 分子量: 425.7
• InChiKey: SPFVHFBNXPARTR-IDMXKUIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.562
• 拓扑面积：
  51.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-溴-2,6-二甲氧基苯甲酸 、 (S)-2-(氨甲基)-1-乙基吡咯烷 在 (S)-2-(氨甲基)-1-乙基吡咯烷 作用下， 以88的产率得到3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide;hydron;chloride;hydrate
  参考文献：
  名称：

  J. Med. Chem. 1982, 25, 1280-1286

  摘要：

  DOI：

文献信息

• Co-administration of dopamine-receptor binding compounds
  申请人：Fernandes B. Prabhavathi

  公开号：US20070155720A1

  公开（公告）日：2007-07-05

  Methods for treating a patient having neurological, psychotic, and psychiatric disorders are described comprising the steps of administering to the patient an effective amount of a partial and/or full dopamine D 1 receptor agonist, and administering to the patient an effective amount of a dopamine D 2 receptor antagonist. Pharmaceutical compositions comprising a dopamine D 1 receptor agonist and a dopamine D 2 receptor antagonist are also described. The D 1 dopamine receptor agonist and the D 2 dopamine receptor antagonist can be administered to the patient in the same or in a different composition or compositions.

  描述了治疗患有神经、精神和精神障碍的患者的方法，包括向患者施用部分和/或全多巴胺D1受体激动剂的有效量，并向患者施用多巴胺D2受体拮抗剂的有效量。还描述了包含多巴胺D1受体激动剂和多巴胺D2受体拮抗剂的药物组合物。D1多巴胺受体激动剂和D2多巴胺受体拮抗剂可以以相同或不同的组合或组合物形式向患者施用。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• [EN] DREADD ACTUATORS<br/>[FR] ACTIONNEURS DREADD
  申请人：US HEALTH

  公开号：WO2019157083A1

  公开（公告）日：2019-08-15

  Disclosed is a compound of formula (I) in which R1, R2, and R3 are as described herein. Also provided are pharmaceutical compositions comprising the compound of formula (I) and methods of using the compound of formula (I), including a method of treating a disease or disorder and a method for effectuating a G-protein coupled receptor (GPCR)-mediated response in a subject.

  公开了一种化合物的化学式(I)，其中R1、R2和R3如本文所述。还提供了包含化合物的药物组合物的制剂(I)和使用化合物的方法(I)，包括治疗疾病或紊乱的方法以及在受试者中实现G蛋白偶联受体(GPCR)介导的反应的方法。
• [EN] INDOLIN-2-ONE OR PYRROLO-PYRIDIN-2-ONE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLIN-2-ONE OU DE PYRROLOPYRIDIN-2-ONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015197567A1

  公开（公告）日：2015-12-30

  The present invention is concerned with 2-oxo-2,3-dihydro-indoles of general formula (I) wherein Ar1 is phenyl or a five or six membered heteroaryl group, containing one, two or three heteroatoms, selected from N, S or O, wherein the N-heteroatom in the heteroaryl group may be oxidized to N+-(O-); R1 is lower alkyl, halogen, cyano or cycloalkyl; Ar2 is a five or six membered heteroaryl group, containing one, two, three or four heteroatoms, selected from N, S or O, wherein the N-heteroatom in the heteroaryl group may be oxidized to N+-(O-), or is benzo[b]thiophenyl; R2 is hydrogen, lower alkyl, halogen, cyano, lower alkyl substituted by hydroxyl, lower alkyl substituted by halogen, lower alkyl substituted by amino, lower alkyl substituted by alkoxy, lower alkyl substituted by amide, or is cycloalkyl; X is CH or N; n is 1 or 2; m is 1 or 2; as well as with a pharmaceutically acceptable salt thereof, with a racemic mixture, or with its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. The compounds may be used in the treatment of CNS diseases related to positive (psychosis) and negative symptoms of schizophrenia, substance abuse, alcohol and drug addiction, obsessive-compulsive disorders, cognitive impairment, bipolar disorders, mood disorders, major depression, treatment resistant depression, anxiety disorders, Alzheimer's disease, autism, Parkinson's disease, chronic pain, borderline personality disorder, neurodegenerative disease, sleep disturbances, chronic fatigue syndrome, stiffness, inflammatory disease, asthma, Huntington's disease, ADHD, amyotrophic lateral sclerosis, epilepsy, effects in arthritis, autoimmune disease, viral and fungal infections, cardiovascular diseases, ophthalmology and inflammatory retinal diseases and balance problems.

  本发明涉及一般式（I）的2-氧代-2,3-二氢吲哚，其中Ar1为苯基或含有一个、两个或三个异原子（N、S或O）的五元或六元杂环芳基，其中杂环芳基中的N-异原子可以被氧化为N+-(O-)；R1为低碳基、卤素、氰基或环烷基；Ar2为含有一个、两个、三个或四个异原子（N、S或O）的五元或六元杂环芳基，其中杂环芳基中的N-异原子可以被氧化为N+-(O-)，或者为苯并[ｂ]噻吩基；R2为氢、低碳基、卤素、氰基、被羟基取代的低碳基、被卤素取代的低碳基、被氨基取代的低碳基、被烷氧基取代的低碳基、被酰胺取代的低碳基，或者为环烷基；X为CH或N；n为1或2；m为1或2；以及其药学上可接受的盐、消旋体混合物、或其对映体和/或光学异构体和/或立体异构体。这些化合物可用于治疗与精神病（精神病）、精神分裂症的阳性和阴性症状、物质滥用、酒精和药物成瘾、强迫症、认知障碍、躁郁症、情感障碍、重度抑郁症、治疗难治性抑郁症、焦虑障碍、阿尔茨海默病、自闭症、帕金森病、慢性疼痛、边缘人格障碍、神经退行性疾病、睡眠障碍、慢性疲劳综合征、僵硬、炎症性疾病、哮喘、亨廷顿病、注意力缺陷多动障碍、肌萎缩侧索硬化症、癫痫、关节炎作用、自身免疫疾病、病毒和真菌感染、心血管疾病、眼科学和炎症性视网膜疾病以及平衡问题相关的中枢神经系统疾病的治疗。
• [EN] INDOLIN-2-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CNS DISEASES<br/>[FR] DÉRIVÉS D'INDOLINE-2-ONE UTILES DANS LE TRAITEMENT DE MALADIES DU SYSTÈME NERVEUX CENTRAL
  申请人：HOFFMANN LA ROCHE

  公开号：WO2017076932A1

  公开（公告）日：2017-05-11

  The present invention is concerned with indolin-2-one derivatives of general formula (I) wherein A is phenyl or a six membered heteroaryl group, containing one or two N atoms, selected from (II) R1 is S(0)2lower alkyl, S(0)2NR4R5, S(0)2cycloalkyl, S-lower alkyl or S(0)2-azetidin-l-yl; R4 and R5 are independently from each other hydrogen, lower alkyl or (CH2)2OCH3; or the group A-R1 may form together with two neighboring carbon atoms from the group A an additional fused ring, selected from (III) R 2 is hydrogen or cycloalkyl; R 3 is methyl or halogen; n is 1 or 2; X is N, N+0" or CH; --- the dotted line may be nothing or -CH2-; as well as with a pharmaceutically acceptable salt thereof, with a racemic mixture, or with its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. The compounds may be used in the treatment of CNS diseases related to positive (psychosis) and negative symptoms of schizophrenia, substance abuse, alcohol and drug addiction, obsessive- compulsive disorders, cognitive impairment, bipolar disorders, mood disorders, major depression, treatment resistant depression, anxiety disorders, Alzheimer's disease, autism, Parkinson's disease, chronic pain, borderline personality disorder, neurodegenerative disease, sleep disturbances, chronic fatigue syndrome, stiffness, inflammatory disease, asthma, Huntington's disease, ADHD, amyotrophic lateral sclerosis, effects in arthritis, autoimmune disease, viral and fungal infections, cardiovascular diseases, ophthalmology and inflammatory retinal diseases and balance problems, epilepsy and neurodevelopmental disorders with co- morbid epilepsy.

  本发明涉及一种通式(I)的吲哚啉-2-酮衍生物，其中A为苯基或含有一个或两个N原子的六元杂环烃基，选自(II)中；R1为S(0)2较低烷基，S(0)2NR4R5，S(0)2环烷基，S-较低烷基或S(0)2-氮杂环丙烯基；R4和R5分别独立地为氢、较低烷基或(CH2)2OCH3；或者基团A-R1可以与基团A中的两个相邻碳原子一起形成一个来自(III)中选择的额外融合环；R2为氢或环烷基；R3为甲基或卤素；n为1或2；X为N、N+0"或CH；---虚线可以为无或-CH2-；以及其药学上可接受的盐、外消旋混合物或其相应的对映体和/或光学异构体和/或立体异构体。这些化合物可用于治疗与精神病（精神病）、精神分裂症的阳性和阴性症状、物质滥用、酒精和药物成瘾、强迫-强迫性障碍、认知障碍、双相障碍、情绪障碍、重度抑郁症、治疗难治性抑郁症、焦虑障碍、阿尔茨海默病、自闭症、帕金森病、慢性疼痛、边缘人格障碍、神经退行性疾病、睡眠障碍、慢性疲劳综合征、僵硬、炎症性疾病、哮喘、亨廷顿病、注意力缺陷多动障碍、肌萎缩侧索硬化、关节炎效应、自身免疫疾病、病毒和真菌感染、心血管疾病、眼科学和炎症性视网膜疾病和平衡问题、癫痫和伴发癫痫的神经发育障碍相关的中枢神经系统疾病的治疗。