N-(2,6-Difluorophenyl)-2-oxoglycyl-N-((1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl)-L-alaninamide | 254750-11-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: N-(2,6-Difluorophenyl)-2-oxoglycyl-N-((1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl)-L-alaninamide
• 英文别名: (3S)-3-[[(2S)-2-[[2-(2,6-difluoroanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
• CAS: 254750-11-3
• 化学式: C₂₂H₁₇F₆N₃O₇
• 分子量: 549.4
• InChiKey: VMPUKWSLCRUGSR-SDBXPKJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  13

文献信息

• TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE
  申请人：Conatus Pharmaceuticals, Inc.

  公开号：US20160213736A1

  公开（公告）日：2016-07-28

  Provided herein are methods and compositions for treatment of a portal hypertension and cirrhosis by administering a of a caspase inhibitor alone or in combination with current treatments for portal hypertension. Also provided are methods and compositions for reducing the progression of the clinical complications associated with portal hypertension by administering the caspase inhibitors described herein.

  本文提供了一种治疗门静脉高压和肝硬化的方法和组合物，通过单独或与当前门静脉高压治疗方案结合使用半胱氨酸蛋白酶抑制剂。同时，还提供了一种通过给予本文描述的半胱氨酸蛋白酶抑制剂来减少与门静脉高压相关的临床并发症进展的方法和组合物。
• TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH EMRICASAN
  申请人：Conatus Pharmaceuticals, Inc.

  公开号：EP3444011A1

  公开（公告）日：2019-02-20

  Provided herein is a compound for use in a method of treating or preventing a complication of a chronic liver disease, wherein the compound is: or a pharmaceutically acceptable salt thereof.

  本文提供了一种用于治疗或预防慢性肝病并发症方法的化合物，其中该化合物是 或其药学上可接受的盐。
• TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS
  申请人：Conatus Pharmaceuticals, Inc.

  公开号：US20170100448A1

  公开（公告）日：2017-04-13

  Provided herein are methods and compositions for treatment of a portal hypertension and cirrhosis by administering a of a caspase inhibitor alone or in combination with current treatments for portal hypertension. Also provided are methods and compositions for reducing the progression of the clinical complications associated with portal hypertension by administering the caspase inhibitors described herein.
• CASPASE INHIBITORS FOR THE TREATMENT OF COLORECTAL CANCER
  申请人：Conatus Pharmaceuticals, Inc.

  公开号：US20170128519A1

  公开（公告）日：2017-05-11

  Provided herein are methods and compositions for treatment of colorectal cancer by administering a caspase inhibitor in combination with chemotherapeutic agents for colorectal cancer.
• METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE
  申请人：Conatus Pharmaceuticals Inc.

  公开号：US20190022043A1

  公开（公告）日：2019-01-24

  Provided herein are methods and compositions for treatment of an elevated MELD score or Child-Pugh score or their components by administering a of a caspase inhibitor alone or in combination with current treatments for liver disease.