(2S,3S)-3-[(1R)-6-methoxy-1-methyl-1-trifluoromethylisochroman-7-yl]methylamino-2-phenylpiperidine | 225655-10-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2S,3S)-3-[(1R)-6-methoxy-1-methyl-1-trifluoromethylisochroman-7-yl]methylamino-2-phenylpiperidine
• 英文别名: 3-Piperidinamine, N-(((1R)-3,4-dihydro-6-methoxy-1-methyl-1-(trifluoromethyl)-1H-2-benzopyran-7-yl)methyl)-2-phenyl-, (2S,3S)-；(2S,3S)-N-[[(1R)-6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methyl]-2-phenylpiperidin-3-amine
• CAS: 225655-10-7
• 化学式: C₂₄H₂₉F₃N₂O₂
• 分子量: 434.502
• InChiKey: ODEBBNRINYMIRX-ACIOBRDBSA-N

物化性质

• 熔点：
  257-258 °C
• 沸点：
  511.0±50.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  42.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2S,3S)-3-[(1R)-6-methoxy-1-methyl-1-trifluoromethylisochroman-7-yl]methylamino-2-phenylpiperidine 、 6-methoxy-1-methyl-1-trifluoromethyl-isochroman-7-carbaldehyde 、 (2s-3s)-2-Phenyl-piperidin-3-ylamine dimandelate 、 、 (6-methoxy-1-methyl-1-trifluoromethyl-isochroman-7-ylmethyl)-(2-phenyl-piperidin-3-yl)-amine 在 水 、 sodium hydroxide 、 layer 、 二氯甲烷 、 Brine 、 Sodium sulfate-III 、 crude product 作用下， 以 二氯甲烷 、 乙醇 为溶剂， 反应 19.75h， 以to yield 4.66 g (32% ) of (6-methoxy-1-methyl-1-trifluoromethyl-isochroman-7-ylmethyl)-(2-phenyl-piperidin-3-yl)-amine (S)-(+)-mandelate的产率得到(6-methoxy-1-methyl-1-trifluoromethyl-isochroman-7-ylmethyl)-(2-phenyl-piperidin-3-yl)-amine (S)-(+)-mandelate
  参考文献：
  名称：

  Process for the preparation of piperidinylaminomethyl trifluoromethyl cyclic ether compounds

  摘要：

  本发明涉及一种制备式Ia和Ib的哌啶基氨甲基三氟甲基环醚化合物的对映异构体混合物的新工艺及其药学上可接受的盐，其中R1是C1-C6烷基；R2是C1-C6烷基，卤代C1-C6烷基或苯基或取代苯基；R3是氢或卤素；m为零、一或二，所述混合物在式Ia的化合物中高度富集，并且本发明涉及一种用于制备式Ia和Ib化合物的中间体化合物的新工艺和纯化工艺。

  公开号：

  US20030236268A1
• 作为产物：
  描述：

  cis-(+/-)-2-phenylpiperidin-3-ylamine 、 (1R)-6-methoxy-1-methyl-1-trifluoromethylisochroman-7-carbaldehyde 在 cis-(+/-)-2-phenylpiperidin-3-ylamine 作用下， 生成 (2S,3S)-3-[(1R)-6-methoxy-1-methyl-1-trifluoromethylisochroman-7-yl]methylamino-2-phenylpiperidine
  参考文献：
  名称：

  Bioorg. Med. Chem. 2008, 16, 7193-7205

  摘要：

  DOI：

文献信息

• Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles
  申请人：——

  公开号：US20020035147A1

  公开（公告）日：2002-03-21

  The present invention relates to methods of treating various CNS and other disorders by adminstering fluoroalkoxybenzylamino derivatives of nitrogen containing heterocyclic compounds, and specifically, by administering compounds of the formula 1 wherein Q, X 1 , X 2 and X 3 are as defined below, and their pharmaceutically acceptable salts.

  本发明涉及通过给予含氮杂环化合物的氟烷氧基苄胺衍生物来治疗各种中枢神经系统和其他疾病的方法，具体地，通过给予以下公式中的化合物来治疗： 1 其中Q、X 1 、X 2 和X 3 如下所定义，并且它们的药用盐。
• Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists
  申请人：Pfizer Inc.

  公开号：US20030208079A1

  公开（公告）日：2003-11-06

  This invention provides a compound of the formula: 1 and its pharmaceutically acceptable salts, wherein R 1 is C 1 -C 6 alkyl; R 2 is hydrogen, C 1 -C 6 alkyl, halo C 1 -C 6 alkyl or phenyl; R 3 is hydrogen or halo; R 4 and R 5 are independently hydrogen, C 1 -C 6 alkyl or halo C 1 -C 6 alkyl; and n is one, two or three. These compounds are useful as analgesics or anti-inflammatory agents, or in the treatment of cardiovascular diseases, allergic disorders, angiogenesis, CNS disorders, emesis, gastrointestinal disorders, sunburn, urinary incontinence, or diseases, disorders or adverse conditions caused by Helicobacter pylori, or the like, in a mammalian subject, especially humans. Intermediates for preparation of the compounds of Formula (I) are also disclosed.

  这项发明提供了以下化合物及其药用可接受的盐： 1 其中R 1 为C 1 -C 6 烷基；R 2 为氢、C 1 -C 6 烷基、卤代C 1 -C 6 烷基或苯基；R 3 为氢或卤素；R 4 和R 5 独立地为氢、C 1 -C 6 烷基或卤代C 1 -C 6 烷基；n为一、二或三。 这些化合物可用作镇痛剂或抗炎药，或用于治疗心血管疾病、过敏性疾病、血管生成、中枢神经系统疾病、呕吐、胃肠道疾病、晒伤、尿失禁，或由幽门螺杆菌等引起的疾病、疾病或不良状况，尤其是在哺乳动物主体，特别是人类中。还公开了制备式(I)化合物的中间体。
• [EN] QUINOLINE DERIVATIVES<br/>[FR] DERIVES QUINOLINIQUES
  申请人：PFIZER PROD INC

  公开号：WO2004043929A1

  公开（公告）日：2004-05-27

  The present invention relates to compounds of Formula I, wherein R1, R2, R3, R4, and n are as defined, and to pharmaceutically acceptable salts of said compounds. Compounds of Formula I have activity in agonizing 5HT7 receptors and are useful in treating, for example, disorders that can be treated by modulating circadian rhythms.

  本发明涉及式I的化合物，其中R1、R2、R3、R4和n如定义所述，并且涉及所述化合物的药用可接受的盐。式I的化合物在激活5HT7受体方面具有活性，并且可用于治疗例如可以通过调节昼夜节律来治疗的疾病。
• 5HT7 Antagonists and inverse agonists
  申请人：Pfizer Inc.

  公开号：US20040229874A1

  公开（公告）日：2004-11-18

  The present invention relates to compounds of formula I, 1 and the pharmaceutically acceptable salts thereof. These compounds are useful as psychotherapeutic agents.

  本发明涉及公式I的化合物及其药用盐。这些化合物可用作心理治疗药物。
• Pharmaceutical composition and method of modulating cholinergic function in a mammal
  申请人：Pfizer Inc.

  公开号：US20030008892A1

  公开（公告）日：2003-01-09

  A pharmaceutical composition and method of modulating cholinergic function in a mammal comprising administration of a NRPA compound or a pharmaceutically acceptable salt thereof; and an anti-emetic/anti-nausea agent or a pharmaceutically acceptable salt thereof; and a pharmaceutically acceptable carrier. The NRPA compound and the anti-emetic/anti-nausea agent are present in amounts that render the composition effective modulating cholinergic function or in the treatment of a diorder or condition selected from inflammatory bowel disease (including but not limited to ulcerative colitis, pyoderma gangrenosum and Crohn's disease), irritable bowel syndrome, spastic dystonia, chronic pain, acute pain, celiac sprue, pouchitis, vasoconstriction, anxiety, panic disorder, depression, bipolar disorder, autism, sleep disorders, jet lag, amyotrophic lateral sclerosis (ALS), cognitive dysfunction, hypertension, bulimia, anorexia, obesity, cardiac arrythmias, gastric acid hypersecretion, ulcers, pheochromocytoma, progressive supranuclear palsy, chemical dependencies and addictions (e.g., dependencies on, or addictions to nicotine (and/or tobacco products), alcohol, benzodiazepines, barbiturates, opioids or cocaine), headache, migraine, stroke, traumatic brain injury (TBI), obsessive-compulsive disorder (OCD), psychosis, Huntington's chorea, tardive dyskinesia, hyperkinesia, dyslexia, schizophrenia, multi-infarct dementia, age-related cognitive decline, epilepsy, including petit mal absence epilepsy, senile dementia of the Alzheimer's type (AD), Parkinson's disease (PD), attention deficit hyperactivity disorder (ADHD) and Tourette's Syndrome. The method of using these compositions is also disclosed.

  一种药物组合物及其在哺乳动物中调节胆碱能功能的方法，包括给予NRPA化合物或其药学上可接受的盐；以及抗恶心/抗呕吐剂或其药学上可接受的盐；和药学上可接受的载体。NRPA化合物和抗恶心/抗呕吐剂的含量使组合物能够有效调节胆碱能功能或用于治疗炎症性肠病（包括但不限于溃疡性结肠炎、化脓性坏疽和克罗恩病）、肠易激综合症、痉挛性肌张力障碍、慢性疼痛、急性疼痛、乳糜泻、袋炎、血管收缩、焦虑、惊恐障碍、抑郁症、躁郁症、自闭症、睡眠障碍、时差反应、肌萎缩侧索硬化症（ALS）、认知功能障碍、高血压、贪食症、厌食症、肥胖症、心脏心律失常、胃酸过多分泌、溃疡、嗜铬细胞瘤、进行性核上性麻痹、化学依赖和成瘾（例如对尼古丁（和/或烟草制品）、酒精、苯二氮卓、巴比妥类药物、阿片类药物或可卡因的依赖或成瘾）、头痛、偏头痛、中风、创伤性脑损伤（TBI）、强迫症、精神病、亨廷顿舞蹈症、迟发性运动障碍、过动症、阿尔茨海默病的老年性痴呆、帕金森病（PD）、注意力缺陷多动障碍（ADHD）和抽动症。还公开了使用这些组合物的方法。