(+/-)-N-(3-Brom-1-methyl-propyl)-phthalimid | 101225-95-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (+/-)-N-(3-Brom-1-methyl-propyl)-phthalimid
• 英文别名: N-(3-bromo-1-methyl-propyl)-phthalimide；1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-1-methylpropyl)-；2-(4-bromobutan-2-yl)isoindole-1,3-dione
• CAS: 101225-95-0
• 化学式: C₁₂H₁₂BrNO₂
• 分子量: 282.137
• InChiKey: QVQCIAGHTGSHCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1H-1,2,4-三唑 、 (+/-)-N-(3-Brom-1-methyl-propyl)-phthalimid 在 sodium hydride 作用下， 生成 2-(1-Methyl-3-[1,2,4]triazol-1-yl-propyl)-isoindole-1,3-dione
  参考文献：
  名称：

  Thromboxane synthetase inhibitors and antihypertensive agents. 2. N-[(1H-Imidazol-1-yl)alkyl]-1H-isoindole-1,3(2H)-diones and N-[(1H-1,2,4-triazol-1-yl)alkyl]-1H-isoindole-1,3(2H)-diones as unique antihypertensive agents

  摘要：

  A series of N-[(1H-heteroaryl)alkyl]-1H-isoindole-1,3(2H)-diones were prepared as part of a continuing investigation into the biological properties of compounds that were both thromboxane synthetase inhibitors and potential antihypertensive agents. The most active thromboxane synthetase inhibition was found for the title imidazole derivatives wherein a hexyl or octyl chain separated the heterocyclic ends of the molecule (5,6) or with substitution on the isoindole portion of the molecule (18, 19, 21, 22, 25, 26). Compounds with shorter alkyl chain separations had good antihypertensive effects (1-5, 8-10, 19-22, 27-30). Butyl derivative 3 was chosen for further evaluation as a potential antihypertensive agent with thromboxane synthetase inhibitory properties.

  DOI：

  10.1021/jm00155a036

文献信息

• Antimicrobial Compounds and Methods of Making and Using the Same
  申请人：Duffy Erin M.

  公开号：US20140163049A1

  公开（公告）日：2014-06-12

  The present invention relates generally to the field of antimicrobial compounds and to methods of making and using them. These compounds are useful for treating, preventing, and reducing the risk of microbial infections in humans and animals.

  本发明通常涉及抗微生物化合物领域以及其制备和使用方法。这些化合物对于治疗、预防和减少人类和动物微生物感染的风险非常有用。
• ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP0755392A1

  公开（公告）日：1997-01-29
• EP0755392A4
  申请人：——

  公开号：EP0755392A4

  公开（公告）日：1997-05-02
• ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Melinta Therapeutics, Inc.

  公开号：EP2697229B1

  公开（公告）日：2018-04-04
• US5760054A
  申请人：——

  公开号：US5760054A

  公开（公告）日：1998-06-02