1-(哌啶-4-基)吲哚啉-2-酮盐酸盐 | 58562-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1-(哌啶-4-基)吲哚啉-2-酮盐酸盐
• 英文名称: 1-(Piperidin-4-yl)indolin-2-one hydrochloride
• 英文别名: 1-piperidin-4-yl-3H-indol-2-one;hydrochloride
• CAS: 58562-44-0
• 化学式: C₁₃H₁₆N₂O*ClH
• 分子量: 252.744
• InChiKey: DKQXXXXLBZVWOA-UHFFFAOYSA-N

物化性质

• 熔点：
  277-278 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933790090

反应信息

• 作为反应物：
  描述：

  1-(哌啶-4-基)吲哚啉-2-酮盐酸盐 以28%的产率得到
  参考文献：
  名称：

  KLEIN W.; BACK W.; MUTSCHLER E., ARCH. PHARM. , 1975, 308, NO 12, 910-916

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(2-氧代吲哚啉-1-基)哌啶-1-羧酸叔丁酯 在 三氟乙酸 、 盐酸 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 反应 3.5h， 生成 1-(哌啶-4-基)吲哚啉-2-酮盐酸盐
  参考文献：
  名称：

  4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable Stearoyl-CoA desaturase-1 (SCD1) inhibitors. Part 1: Urea-based analogs

  摘要：

  A new series of urea-based, 4-bicyclic heteroaryl-piperidine derivatives as potent SCD1 inhibitors is described. The structure-activity relationships focused on bicyclic heteroarenes and aminothiazole-urea portions are discussed. A trend of dose-dependent decrease in body weight gain in diet-induced obese (DIO) mice is also demonstrated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.096

文献信息

• A novel synthesis of N-(piperidin-4-yl)-1,3-dihydroindol-2-one via an intramolecular Pd-catalyzed amination
  作者：Adri van den Hoogenband、Jack A.J. den Hartog、Jos H.M. Lange、Jan Willem Terpstra

  DOI：10.1016/j.tetlet.2004.09.121

  日期：2004.11

  A novel efficient synthetic route to the pharmaceutical key intermediate N-(piperidin-4-yl)-1,3-dihydroindol-2-one is described. The key step involves a high-yielding intramolecular palladium-catalyzed amination reaction using Buchwald's X-Phos ligand under mild reaction conditions. (C) 2004 Elsevier Ltd. All rights reserved.
• 4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable Stearoyl-CoA desaturase-1 (SCD1) inhibitors. Part 1: Urea-based analogs
  作者：Shyh-Ming Yang、Yuting Tang、Rui Zhang、Huajun Lu、Gee-Hong Kuo、Michael D. Gaul、Yaxin Li、George Ho、James G. Conway、Yin Liang、James M. Lenhard、Keith T. Demarest、William V. Murray

  DOI：10.1016/j.bmcl.2013.09.096

  日期：2013.12

  A new series of urea-based, 4-bicyclic heteroaryl-piperidine derivatives as potent SCD1 inhibitors is described. The structure-activity relationships focused on bicyclic heteroarenes and aminothiazole-urea portions are discussed. A trend of dose-dependent decrease in body weight gain in diet-induced obese (DIO) mice is also demonstrated. (C) 2013 Elsevier Ltd. All rights reserved.
• KLEIN W.; BACK W.; MUTSCHLER E., ARCH. PHARM. <APBD-AJ>, 1975, 308, NO 12, 910-916
  作者：KLEIN W.、 BACK W.、 MUTSCHLER E.

  DOI：——

  日期：——