7-[4-(2-methylphenyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-9-one | 864829-37-8

• 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: 7-[4-(2-methylphenyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-9-one
• 英文别名: 7-(4-o-tolylpiperidine-1-carbonyl)-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one；7-[4-(2-Methylphenyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one
• CAS: 864829-37-8
• 化学式: C₂₃H₂₆N₂O₂
• 分子量: 362.472
• InChiKey: BCPOBXNETHCJBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-[4-(2-methylphenyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-9-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 正己烷 、 二乙胺 、 异丙醇 为溶剂， 反应 19.0h， 生成 (7S,9R)-7-(4-o-tolylpiperidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
  参考文献：
  名称：

  EP1726590

  摘要：

  公开号：
• 作为产物：
  描述：

  5,6,7,8-四氢喹啉 在 吡啶 、 盐酸 、 1,1'-azobis(cyclohexane)-1-carbonitrile 、 水 、 碘 、 三正丁基氢锡 、 sodium hydride 、 potassium hydrogencarbonate 、 臭氧 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三苯基膦 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 二氯甲烷 、 水 、 乙酸酐 、 甲苯 为溶剂， 反应 104.0h， 生成 7-[4-(2-methylphenyl)piperidine-1-carbonyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-9-one
  参考文献：
  名称：

  EP1726590

  摘要：

  公开号：

文献信息

• Cycloalkanopyridine derivative
  申请人：Takahashi Hirobumi

  公开号：US20070191419A1

  公开（公告）日：2007-08-16

  Provided are cycloalkanopyridine derivatives of formula [I]: [wherein the symbols are the same as those stated in the description]. The compounds act as a nociceptin receptor antagonist, and are useful as medicines for diseases associated with a nociceptin receptor, for example, as a reliever against tolerance to a narcotic analgesic; a reliever against dependence on or addiction to a narcotic analgesic; an analgesic enhancer; an antiobesitic or appetite suppressor; a treating or prophylactic agent for cognitive impairment and dementia/amnesia; an agent for treating developmental cognitive abnormality; a remedy for schizophrenia; an agent for treating neurodegenerative diseases; an anti-depressant or treating agent for affective disorder; a treating or prophylactic agent for diabetes insipidus; a treating or prophylactic agent for polyuria; or a remedy for hypotension.

  提供的是式[I]的环烷基吡啶衍生物：[其中符号与说明中所述相同]。这些化合物作为一种nociceptin受体拮抗剂，可用作与nociceptin受体相关的疾病的药物，例如作为缓解对麻醉镇痛剂的耐受性的药物；对麻醉镇痛剂的依赖或成瘾的缓解剂；镇痛增强剂；抗肥胖或食欲抑制剂；治疗或预防认知障碍和失忆症的药物；治疗发育性认知异常的药物；治疗精神分裂症的药物；治疗神经退行性疾病的药物；抗抑郁或治疗情感障碍的药物；治疗或预防尿崩症的药物；治疗或预防多尿症的药物；或治疗低血压的药物。
• CYCLOALKANOPYRIDINE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1726590A1

  公开（公告）日：2006-11-29

  Provided are cycloalkanopyridine derivatives of formula [I]: [wherein the symbols are the same as those stated in the description]. The compounds act as a nociceptin receptor antagonist, and are useful as medicines for diseases associated with a nociceptin receptor, for example, as a reliever against tolerance to a narcotic analgesic; a reliever against dependence on or addiction to a narcotic analgesic; an analgesic enhancer; an antiobesitic or appetite suppressor; a treating or prophylactic agent for cognitive impairment and dementia/amnesia; an agent for treating developmental cognitive abnormality; a remedy for schizophrenia; an agent for treating neurodegenerative diseases; an anti-depressant or treating agent for affective disorder; a treating or prophylactic agent for diabetes insipidus; a treating or prophylactic agent for polyuria; or a remedy for hypotension.

  所提供的是式[I]的环烷吡啶衍生物： [其中符号与描述中的符号相同]。这些化合物具有痛觉素受体拮抗剂的作用，可作为治疗与痛觉素受体相关疾病的药物，例如，可作为麻醉镇痛剂耐受性的缓解剂；麻醉镇痛剂依赖或成瘾的缓解剂；镇痛增强剂；抗厌食或食欲抑制剂；治疗或预防认知障碍和痴呆/失忆症的药物；治疗发育性认知异常的药物；治疗精神分裂症的药物；治疗神经退行性疾病的药物；抗抑郁剂或治疗情感障碍的药物；治疗或预防糖尿病性尿崩症的药物；治疗或预防多尿症的药物；或治疗低血压的药物。
• A Novel Class of Cycloalkano[<i>b</i>]pyridines as Potent and Orally Active Opioid Receptor-like 1 Antagonists with Minimal Binding Affinity to the hERG K⁺Channel
  作者：Takashi Yoshizumi、Hirobumi Takahashi、Hiroshi Miyazoe、Yuichi Sugimoto、Tomohiro Tsujita、Tetsuya Kato、Hirokatsu Ito、Hiroshi Kawamoto、Mioko Hirayama、Daisuke Ichikawa、Tomoko Azuma-Kanoh、Satoshi Ozaki、Yoshihiro Shibata、Takeshi Tani、Masato Chiba、Yasuyuki Ishii、Shoki Okuda、Kiyoshi Tadano、Takahiro Fukuroda、Osamu Okamoto、Hisashi Ohta

  DOI：10.1021/jm701590h

  日期：2008.7

  A series of compounds based on 7-[4-(2-methylphenyl)piperidin-1-yl]methyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-9-ol ((-)-8b), a potent and selective opioid receptor-like 1 (ORL1) antagonist, was prepared and evaluated using structure-activity relationship studies with the aim of removing its affinity to human ether-a-go-go related gene (hERG) K+ channel. From these studies, 10l was identified as an optimized structure with respect to ORL1 antagonist activity, and affinity to the hERG K+ channel. Furthermore, 10l showed good in vivo antagonism with a wide therapeutic index in regards to adverse cardiovascular effects.
• US7855294B2
  申请人：——

  公开号：US7855294B2

  公开（公告）日：2010-12-21