N-(3-hydroxy-9β,13α-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oyl)-4-methylpiperazine | 1105067-37-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-(3-hydroxy-9β,13α-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oyl)-4-methylpiperazine
• 英文别名: (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(4-methylpiperazine-1-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one
• CAS: 1105067-37-5
• 化学式: C₃₄H₄₈N₂O₃
• 分子量: 532.767
• InChiKey: UZEJIMRGSSLBIV-SAQIBKBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  39
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(3-hydroxy-9β,13α-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oyl)-4-methylpiperazine 在 lithium aluminium tetrahydride 、 氧气 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以7%的产率得到(6bS,8aS,11R,12aR,12bS,14aR)-3-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-11-((4-methylpiperazin-1-yl)methyl)-7,8,8a,9,10,11,12,12a,12b,13,14,14a-dodecahydropicen-2(6bH)-one
  参考文献：
  名称：

  [EN] ANALOGS OF CELASTROL
  [FR] ANALOGUES DE CÉLASTROL

  摘要：

  本文描述了用于治疗或预防肥胖以及使用这些方法的组合物和方法。

  公开号：

  WO2017070615A1
• 作为产物：
  描述：

  N-甲基哌嗪 、 雷公藤红素 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 为溶剂， 以14.2%的产率得到N-(3-hydroxy-9β,13α-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oyl)-4-methylpiperazine
  参考文献：
  名称：

  [EN] ANALOGS OF CELASTROL
  [FR] ANALOGUES DE CÉLASTROL

  摘要：

  本文描述了用于治疗或预防肥胖以及使用这些方法的组合物和方法。

  公开号：

  WO2017070615A1

文献信息

• Analogs of celastrol
  申请人：ERX Pharmaceuticals, Inc.

  公开号：US10662218B2

  公开（公告）日：2020-05-26

  Described herein, inter alia, are compositions and methods for treating or preventing obesity and using the same.

  本文特别描述了治疗或预防肥胖症的组合物和方法，以及使用这些组合物和方法的方法。
• Discovery of semisynthetic celastrol derivatives exhibiting potent anti-ovarian cancer stem cell activity and STAT3 inhibition
  作者：Na Li、Chaobo Li、Juan Zhang、Qian Jiang、Zhaoxue Wang、Shaozhen Nie、Zhenzhen Gao、Guangyao Li、Hao Fang、Shaoda Ren、Xiaojing Li

  DOI：10.1016/j.cbi.2022.110172

  日期：2022.10
• COMPOSITIONS AND METHODS FOR INHIBITING GROWTH AND METASTASIS OF MELANOMA
  申请人：Ronai Ze'ev A.

  公开号：US20090054438A1

  公开（公告）日：2009-02-26

  There are provided methods of inhibiting growth and metastasis of melanoma, methods of sensitizing melanoma cells to apoptosis, and methods of treating a subject having melanoma using acetyl isogambogic acid, celastrol, or a derivative thereof. There are further provided derivatives of celastrol and compositions comprising acetyl isogambogic acid, celastrol, or a derivative thereof.
• Compositions and Methods for Inhibiting Growth and Metastasis of Melanoma
  申请人：Ronai Ze'ev A.

  公开号：US20110166216A1

  公开（公告）日：2011-07-07

  There are provided methods of inhibiting growth and metastasis of melanoma, methods of sensitizing melanoma cells to apoptosis, and methods of treating a subject having melanoma using acetyl isogambogic acid, celastrol, or a derivative thereof. There are further provided derivatives of celastrol and compositions comprising acetyl isogambogic acid, celastrol, or a derivative thereof.
• COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF
  申请人：The Children's Medical Center Corporation

  公开号：US20150274634A1

  公开（公告）日：2015-10-01

  Pentacyclic triterpene compounds are provided herein. Also provided are pharmaceutical formulations containing a therapeutically effective amount of one or more of the compounds, or pharmaceutically acceptable salts or prodrugs thereof, in combination with one or more pharmaceutically acceptable excipients. The pharmaceutical formulations can be administered to a pre-obese, obese, or morbidly obese patient to induce weight loss, reduce body fat, reduce food intake, improve glucose homeostasis, prevent obesity, or a combination thereof. The compounds can also be co-administered with leptin or a leptin analog.