(5R,8R,10R)-6-allyl-N-[3-(morpholino)propyl]-N-[(ethylamino)carbonyl]-ergoline-8-carboxamide | 1419268-43-1

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 麦角林及其衍生物
• 英文名称: (5R,8R,10R)-6-allyl-N-[3-(morpholino)propyl]-N-[(ethylamino)carbonyl]-ergoline-8-carboxamide
• 英文别名: (6aR,9R,10aR)-N-(ethylcarbamoyl)-N-(3-morpholin-4-ylpropyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• CAS: 1419268-43-1
• 化学式: C₂₈H₃₉N₅O₃
• 分子量: 493.649
• InChiKey: GIVLQJIZLYGZTG-GZGNHOFSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  80.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  卡麦角林 在 三乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 (5R,8R,10R)-6-allyl-N-[3-(morpholino)propyl]-N-[(ethylamino)carbonyl]-ergoline-8-carboxamide
  参考文献：
  名称：

  Synthesis of Novel Analogs of Cabergoline: Improving Cardiovascular Safety by Removing 5-HT_2B Receptor Agonism

  摘要：

  The dopamine agonist cabergoline has been used to treat prolactinomas, Parkinson's disease, Cushing's disease, and sexual dysfunction. However, its clinical use was severely curtailed when it was found that patients taking cabergoline had an increased risk of developing cardiac-valve regurgitation. This potentially life-threatening condition has been associated with drugs, such as cabergoline, that are 5-HT2B receptor agonists. We prepared analogs of cabergoline and have identified several that have limited or no agonism at the 5-HT2B receptor.

  DOI：

  10.1021/ml3003814

文献信息

• [EN] ERGOLINE DERIVATIVES AS DOPAMINE RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS D'ERGOLINE EN TANT QUE MODULATEURS D'UN RÉCEPTEUR DE LA DOPAMINE
  申请人：UNIV MINNESOTA

  公开号：WO2014078857A1

  公开（公告）日：2014-05-22

  The invention provides compounds of formula (I) wherein R1-R4 have any of the values defined in the specification, and salts thereof. The compounds are useful as dopamine receptor modulators for the treatment of diseases where modulation of dopamine receptors is implicated (e.g. sexual dysfunction, prolactinoma, Parkinson's disease, and Cushings disease).

  该发明提供了式(I)的化合物，其中R1-R4具有规范中定义的任何值，以及其盐。这些化合物可用作多巴胺受体调节剂，用于治疗多巴胺受体调节受牵扯的疾病（例如性功能障碍、垂体催乳素瘤、帕金森病和库欣氏症）。
• ERGOLINE DERIVATIVES AS DOPAMINE RECEPTOR MODULATORS
  申请人：REGENTS OF THE UNIVERSITY OF MINNESOTA

  公开号：US20150307486A1

  公开（公告）日：2015-10-29

  The invention provides compounds of formula (I) wherein R 1 -R 4 have any of the values defined in the specification, and salts thereof. The compounds are useful as dopamine receptor modulators for the treatment of diseases where modulation of dopamine receptors is implicated (e.g. sexual dysfunction, prolactinoma, Parkinson's disease, and Cushings disease).

  本发明提供公式（I）的化合物，其中R1-R4具有规范中定义的任何值，以及其盐。这些化合物可用作多巴胺受体调节剂，用于治疗多巴胺受体调节与相关的疾病（例如性功能障碍，垂体瘤，帕金森病和库欣病）。
• US9670199B2
  申请人：——

  公开号：US9670199B2

  公开（公告）日：2017-06-06