(2-bromo-6-methyl-ergolin-8-yl)-acetonitrile | 51980-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2-bromo-6-methyl-ergolin-8-yl)-acetonitrile
• 英文别名: D-2-bromo-6-methyl-8-cyanomethylergoline；2-[(6aR,10aR)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
• CAS: 51980-13-3
• 化学式: C₁₇H₁₈BrN₃
• 分子量: 344.254
• InChiKey: RUJHXZAECSHHLX-QOBVVAFRSA-N

物化性质

• 沸点：
  543.9±50.0 °C(Predicted)
• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Lipase Inhibitors
  申请人：Bachovchin William W.

  公开号：US20090209492A1

  公开（公告）日：2009-08-20

  The present invention relates to inhibitors of lipases, such as inhibitors of endothelial lipase, as well as pharmaceutical compositions thereof, and methods for using such inhibitors. The prototype of these inhibitors has lipophilic portion and an electrophilic site.

  本发明涉及脂肪酶的抑制剂，例如内皮脂酶的抑制剂，以及其制药组合物和使用这些抑制剂的方法。这些抑制剂的原型具有亲脂性部分和亲电位点。
• AMINOQUINOLINE DERIVATIVES AND USES THEREOF
  申请人：THE MCLEAN HOSPITAL CORPORATION

  公开号：US20150023930A1

  公开（公告）日：2015-01-22

  Described herein are aminoquinoline and aminoacridine based hybrids, pharmaceutical compositions and medicaments that include such aminoquinoline and aminoacridine based hybrids, and methods of using such compounds for diagnosing and/or treating infections, neurodegerative diseases or disorders, inflammation, inflammation associated diseases and disorders, and/or diseases or disorders that are treatable with dopamine agonists such as the restless leg syndrome.

  本文描述了基于氨基喹啉和氨基蒽醌的混合物，包括含有这种基于氨基喹啉和氨基蒽醌的混合物的制药组合物和药物，以及使用这种化合物诊断和/或治疗感染、神经退行性疾病或障碍、炎症、与炎症相关的疾病和障碍以及可用多巴胺激动剂治疗的疾病或障碍（如不宁腿综合征）的方法。
• Peptidomimetic Inhibitors of Post-Proline Cleaving Enzymes
  申请人：Trustees of Tufts College

  公开号：US20160158260A1

  公开（公告）日：2016-06-09

  Disclosed are inhibitors of post-proline cleavage enzymes, such as inhibitors of dipeptidyl peptidase IV, as well as pharmaceutical compositions thereof, and methods for using such inhibitors. In particular, the inhibitors are improved over those in the prior art by selection of particular classes of side chains in the P1 and/or P2 position of the inhibitor. The inhibitors can have a better therapeutic index, owing in part to reduced toxicity and/or improved specificity for the targeted protease.

  本发明涉及后脯氨酸剪切酶的抑制剂，例如二肽基肽酶IV的抑制剂，以及其制药组合物和使用这些抑制剂的方法。特别地，这些抑制剂通过在抑制剂的P1和/或P2位置选择特定类别的侧链而优于先前技术中的抑制剂。这些抑制剂可以具有更好的治疗指数，部分原因在于毒性降低和/或对目标蛋白酶的特异性改善。
• Inhibitors of dipeptidylpeptidase IV
  申请人：Bachovchin W. William

  公开号：US20050203027A1

  公开（公告）日：2005-09-15

  The present invention relates to inhibitors of post-proline cleaving enzymes, such as inhibitors of dipeptidyl peptidase IV, as well as pharmaceutical compositions thereof, and methods for using such inhibitors. In particular, the inhibitors of the present invention are improved over those in the prior art by selection of particular classes of sidechains in the P1 and/or P2 position of the inhibitor that contain a carboxylic acid moiety. The compounds of the present invention can have a better therapeutic index, owing in part to reduced toxicity and/or improved specificity for the targeted protease.

  本发明涉及后脯氨酸剪切酶的抑制剂，如二肽基肽酶IV的抑制剂，以及其制药组合物和使用这种抑制剂的方法。特别地，本发明的抑制剂通过选择在抑制剂的P1和/或P2位置上含有羧酸基的特定侧链类别，改善了现有技术中的抑制剂。本发明的化合物可以具有更好的治疗指数，部分原因是由于毒性降低和/或对靶向蛋白酶的特异性改善。
• Inhibitors of Dipeptidylpeptidase IV
  申请人：Bachovchin William W.

  公开号：US20090062235A1

  公开（公告）日：2009-03-05

  The present invention relates to inhibitors of post-proline cleaving enzymes, such as inhibitors of dipeptidyl peptidase IV, as well as pharmaceutical compositions thereof, and methods for using such inhibitors. In particular, the inhibitors of the present invention are improved over those in the prior art by selection of particular classes of sidechains in the P1 and/or P2 position of the inhibitor that contain a carboxylic acid moiety. The compounds of the present invention can have a better therapeutic index, owing in part to reduced toxicity and/or improved specificity for the targeted protease.

  本发明涉及后脯氨酸裂解酶的抑制剂，例如二肽基肽酶IV的抑制剂，以及其药物组合物和使用这些抑制剂的方法。特别地，本发明的抑制剂通过选择在抑制剂的P1和/或P2位置中包含羧酸基团的特定类别的侧链，改进了先前技术中的抑制剂。本发明的化合物可以具有更好的治疗指数，部分原因是由于毒性降低和/或对靶向蛋白酶的特异性提高。