3-chloro-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2,2-dimethylpropanamide

• 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: 3-chloro-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2,2-dimethylpropanamide
• 化学式: C₃₀H₄₃ClFN₃O₃
• 分子量: 548.1
• InChiKey: KDTIBVIUQQWWFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Compositions and methods for treating cardiac dysfunction
  申请人：THE BROAD INSTITUTE, INC.

  公开号：US11111296B2

  公开（公告）日：2021-09-07

  The invention provides compositions and methods for treating cardiac dysfunction, particularly cachexia-associated or RAGE-associated cardiac dysfunction, using an anti-RAGE agent. The invention also provides compositions and methods for identifying therapeutic agents useful for disrupting (slowing, reducing, reversing, or preventing). The methods comprise designing or identifying agents that bind to functional sites identified on the RAGE polypeptide, wherein binding of agents to the functional site(s) inhibit RAGE-mediated cachetogenic signaling.

  本发明提供了使用抗RAGE制剂治疗心脏功能障碍，特别是恶病质相关或RAGE相关心脏功能障碍的组合物和方法。 本发明还提供了用于识别可用于干扰（减缓、减少、逆转或预防）的治疗剂的组合物和方法。 这些方法包括设计或鉴定与 RAGE 多肽上确定的功能位点结合的制剂，其中与功能位点结合的制剂可抑制 RAGE 介导的致缓激肽信号传导。
• S100A8/A9 as a Diagnostic Marker and a Therapeutic Target
  申请人：Sloan-Kettering Institute for Cancer Research

  公开号：US20150065575A1

  公开（公告）日：2015-03-05

  Determinations of the level of expression of S100A8/A9 protein serve as a prognostic indicator of the therapeutic response to a given type of chemotherapy treatment and as a monitoring indicator of the effectiveness of an on-going chemotherapy treatment for the treatment of breast cancer in human patients. Kits can be used for performing these determinations.
• COMPOSITIONS AND METHODS FOR IDENTIFYING AND TREATING CACHEXIA OR PRE-CACHEXIA
  申请人：THE BROAD INSTITUTE, INC.

  公开号：US20160305934A1

  公开（公告）日：2016-10-20

  The invention provides markers indicative of pre-cachexia, compositions and methods for identifying patients with a molecular signature indicative of pre-cachexia; a culture system that reproduces the cachetic process in cells in vitro, which facilitates the screening and identification of therapeutic agents useful for disrupting (slowing, reducing, reversing, or preventing) the progression of pre-cachexia to refractory cachexia; as well as therapeutic agents identified using the culture system of the invention.