[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] anthracene-9-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] anthracene-9-carboxylate
• 化学式: C₂₃H₁₄ClF₃N₂O₃
• 分子量: 458.8
• InChiKey: VXYMRKYTZIUXAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Small Molecule Analogs of the Nemo Binding Peptide
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20180169078A1

  公开（公告）日：2018-06-21

  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.

  该发明涉及一种抑制活细胞内NF-κB基本调节因子（“NEMO”）与IκB激酶-β（IKK-β）在NEMO结合结构域（NBD）上相互作用的方法，包括将细胞暴露于一种有效量或浓度的该发明化合物，即NEMO结合结构域类似物（NBDA）。该发明进一步涉及一种治疗患者病症的方法，其中在医学上指示抑制NF-κB基本调节因子（“NEMO”）与IκB激酶-β（IKK-β）在NEMO结合结构域（NBD）上的相互作用，包括向患者施用该发明化合物的有效剂量。该发明方法可治疗的病症包括肌肉萎缩症、哮喘、炎性肠病、多发性硬化症、帕金森病、关节炎、糖尿病、移植物抗宿主病、加速衰老、心脏缺血、癌症、紫外线诱导的皮肤损伤或与年龄相关的病理。
• Small molecule analogs of the nemo binding peptide
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US10758522B2

  公开（公告）日：2020-09-01

  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.

  本发明涉及一种在活细胞内抑制NF-κB基本调节剂（"NEMO"）与IκB激酶-β（IKK-β）在NEMO结合结构域（NBD）处相互作用的方法，包括将细胞暴露于有效量或有效浓度的本发明化合物--NEMO结合结构域类似物（NBDA）。本发明进一步涉及一种治疗患者病症的方法，其中抑制 NF-κB 基本调节剂（"NEMO"）与 IκB 激酶-β（IKK-β）在 NEMO 结合结构域（NBD）处的相互作用具有医学指征，包括向患者施用有效剂量的本发明化合物。本发明方法可治疗的疾病包括肌肉萎缩症、哮喘、炎症性肠病、多发性硬化症、帕金森病、关节炎、糖尿病、移植物抗宿主疾病、加速衰老、心脏缺血、癌症、紫外线引起的皮肤损伤或与年龄相关的病理。
• [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.