{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]carbamoyl}methyl naphthalene-1-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: {[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]carbamoyl}methyl naphthalene-1-carboxylate
• 英文别名: [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] naphthalene-1-carboxylate
• 化学式: C₁₉H₁₂ClF₃N₂O₃
• 分子量: 408.8
• InChiKey: HOFWDHNDXPXGFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE<br/>[FR] ANALOGUES À PETITES MOLÉCULES DU PEPTIDE DE LIAISON NEMO
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2016196117A1

  公开（公告）日：2016-12-08

  The invention is directed to a method of inhibiting, within a living cell, the interaction between NF-κB essential modulator ("NEMO") with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD), comprising exposing the cell to an effective amount or concentration of a compound of the invention, a NEMO-binding domain analog (NBDA). The invention is further directed to a method of treating a condition in a patient, wherein inhibiting the interaction between NF-κB essential modulator ("NEMO") with IκB kinase-β (IKK-β) at the NEMO binding domain (NBD) is medically indicated, comprising administering to the patient an effective dose of a compound of the invention. Conditions that can be treated by a method of the invention includes muscular dystrophy, asthma, inflammatory bowel disease, multiple sclerosis, Parkinson's Disease, arthritis, diabetes, graft versus host disease, accelerated aging, heart ischemia, cancer, UV-induced skin damage, or an age-related pathology.