(Z)-1-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]propan-2-one | 289054-99-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (Z)-1-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]propan-2-one
• 英文别名: (1Z)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propan-2-one
• CAS: 289054-99-5
• 化学式: C₁₄H₁₇NO
• 分子量: 215.295
• InChiKey: GJPPBYCPCDOSHJ-JYRVWZFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二甲基苄基原醇 、 3-iminobutyronitrile sodium salt 在 硫酸 作用下， 以 苯 为溶剂， 生成 (Z)-1-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]propan-2-one
  参考文献：
  名称：

  Synthesis of enamino methyl ketones of the 3,3-dialkyl-1,2,3,4-tetrahydroisoquinoline series

  摘要：

  DOI：

  10.1134/s1070428015010248

文献信息

• Regulators of the endoplasmic reticulum proteostasis network
  申请人：The Scripps Research Institute

  公开号：US11135186B2

  公开（公告）日：2021-10-05

  The invention provides compounds for activating the activating transcription factor 6 (ATF6) arm of the unfolded protein response (UPR), or activating the transcriptional targets of ATF6, in the endoplasmic reticulum of a cell, the compounds being of any of formulas (I) through (IX) as described herein. The compounds can be used for treatment of conditions involving gain-of-toxic-function and loss-of-function folding disorders including lysosomal storage diseases, antitrypsin-associated emphysema and similar diseases. These molecules are also expected to have disease-ameliorating effects in Alzheimer's disease and diabetes.

  本发明提供了用于激活细胞内质网中未折叠蛋白反应（UPR）的激活转录因子6（ATF6）臂或激活ATF6的转录靶标的化合物，所述化合物为本文所述的式(I)至式(IX)中的任何一种。这些化合物可用于治疗涉及毒性功能增益和功能丧失折叠障碍的疾病，包括溶酶体贮积疾病、抗胰蛋白酶相关性肺气肿和类似疾病。这些分子还有望对阿尔茨海默病和糖尿病产生疾病改善作用。
• Regulators of the Endoplasmic Reticulum Proteostasis Network
  申请人：The Scripps Research Institute

  公开号：US20210393557A1

  公开（公告）日：2021-12-23

  The invention provides compounds for activating the activating transcription factor 6 (ATF6) arm of the unfolded protein response (UPR), or activating the transcriptional targets of ATF6, in the endoplasmic reticulum of a cell, the compounds being of any of formulas (I) through (IX) as described herein. The compounds can be used for treatment of conditions involving gain-of-toxic-function and loss-of-function folding disorders including lysosomal storage diseases, antitrypsin-associated emphysema and similar diseases. These molecules are also expected to have disease-ameliorating effects in Alzheimer's disease and diabetes.