N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan | 155561-67-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-((Hexahydro-1-azepinyl)carbonyl)-leucyl(1-methyl)-tryptophyl-tryptophan
• 英文别名: (2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
• CAS: 155561-67-4
• 化学式: C₃₄H₄₅N₅O₆
• 分子量: 619.7
• InChiKey: JVILFANCFWZBFU-ZGIBFIJWSA-N

物化性质

• 沸点：
  976.8±65.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  153
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Methods and compositions for emergency contraception using endothelin receptor antagonists
  申请人：THE POPULATION COUNCIL, INC.

  公开号：EP2246062A1

  公开（公告）日：2010-11-03

  Disclosed are methods and compositions containing endothelin receptor antagonists for emergency contraception.

  所公开的是含有内皮素受体拮抗剂的用于紧急避孕的方法和组合物。
• Method for screening for endothelin-receptor antagonist activity and for treating conditions caused by endothelin
  申请人：Subbiah Ven

  公开号：US20050008710A1

  公开（公告）日：2005-01-13

  Aliquots of extracts from ethnopharmacological plants that have activity against the effects of sarafotoxins present in snake venom are isolated and identified as antagonists of endothelin using a fluorescence-based assay. A process is provided for the identification of an antagonist of an endothelin selected from the group consisting of endothelin-1, endothelin-2, endothelin-3 and mixtures thereof. The process comprises extraction of ethnopharmacological plants with a solvent followed by evaporation of the solvent to form an aliquot containing at least one component of the extract, optionally purifying and isolating one or more component by chromatography, and subjecting the aliquot or purified component to a competitive fluorescent binding assay using biotinylated endothelin-1, wherein the plants having activity against the effects of one or more sarafotoxins present in snake venom.

  利用基于荧光的检测方法，从具有对抗蛇毒中的沙拉福毒素的活性的民族药用植物中分离出等分提取物，并将其鉴定为内皮素的拮抗剂。提供了一种用于鉴定内皮素拮抗剂的工艺，该内皮素拮抗剂选自内皮素-1、内皮素-2、内皮素-3 及其混合物组成的组。该工艺包括用溶剂萃取民族药用植物，然后蒸发溶剂以形成含有萃取物中至少一种成分的等分物，可选地通过色谱法纯化和分离一种或多种成分，并使用生物素化内皮素-1对等分物或纯化的成分进行竞争性荧光结合测定，其中植物具有对抗蛇毒中一种或多种沙拉福毒素作用的活性。
• METHODS AND COMPOSITIONS FOR EMERGENCY CONTRACEPTION USING ENDOTHELIN RECEPTOR ANTAGONISTS
  申请人：THE POPULATION COUNCIL, INC.

  公开号：EP1906987A1

  公开（公告）日：2008-04-09
• EP1906987A4
  申请人：——

  公开号：EP1906987A4

  公开（公告）日：2009-01-28
• ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES
  申请人：ENB Therapeutics, Inc.

  公开号：EP3746110A1

  公开（公告）日：2020-12-09