3-(4-methoxyphenyl)-2H,6H-thieno[3',2':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3-(4-methoxyphenyl)-2H,6H-thieno[3',2':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-6-one
• 英文别名: 12-(4-methoxyphenyl)-4,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8,12-tetraen-2-one
• 化学式: C₁₅H₁₁N₃O₂S₂
• mdl: MFCD07658497
• 分子量: 329.4
• InChiKey: CZNSHLXJERIYFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE
  申请人：Magenta Therapeutics Inc.

  公开号：US20210220408A1

  公开（公告）日：2021-07-22

  The disclosure relates to aryl hydrocarbon receptor antagonists as well as methods of modulating aryl hydrocarbon receptor activity and expanding hematopoietic stem cells by culturing hematopoietic stem or progenitor cells in the presence of these agents. Additionally, the disclosure provides methods of treating various pathologies, such as cancer, by administration of these aryl hydrocarbon receptor antagonists. Additionally, the disclosure provides methods of treating various pathologies in a patient by administration of expanded hematopoietic stem cells. The disclosure further provides kits containing aryl hydrocarbon receptor antagonists that can be used for the expansion of hematopoietic stem cells. The disclosure further relates to pharmaceutical compositions comprising the compounds and methods of treating or preventing a disease in which aryl hydrocarbon receptor plays a role.