1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolino-2-(2-methoxyphenyl)carboxamide | 799806-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolino-2-(2-methoxyphenyl)carboxamide
• 英文别名: 1-amino-N-(2-methoxyphenyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide；1-amino-N-(2-methoxyphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
• CAS: 799806-96-5
• 化学式: C₂₃H₂₆N₄O₃S
• 分子量: 438.55
• InChiKey: VACKVZJJHIIAAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,3,5,6,7,8-六氢-1-吗啉-4-基-3-硫代-异喹啉-4-甲腈 、 2-氯-N-(2-甲氧苯基)乙酰胺 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以60%的产率得到1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolino-2-(2-methoxyphenyl)carboxamide
  参考文献：
  名称：

  Synthesis of 2,3-disubstituted derivatives of pyrano-, thiopyrano-, and benzoannelated pyrido[2,3-b]thieno[3,2-d]pyrimidines

  摘要：

  A new methods have been developed for the synthesis of condensed pyrido[2,3-b]thieno[3,2-d]pyrimidines based on cyclic derivatives of 4-cyanopyridine-3-thiones. The presence of two different reactive functional groups NH2 and CONH gives the possibility of carrying out different conversions of thieno[2,3-b]pyridines.

  DOI：

  10.1007/s10593-008-0145-y

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.
• Synthesis of 2,3-disubstituted derivatives of pyrano-, thiopyrano-, and benzoannelated pyrido[2,3-b]thieno[3,2-d]pyrimidines
  作者：E. G. Paronikian、Sh. F. Akopian、A. S. Noravian

  DOI：10.1007/s10593-008-0145-y

  日期：2008.8

  A new methods have been developed for the synthesis of condensed pyrido[2,3-b]thieno[3,2-d]pyrimidines based on cyclic derivatives of 4-cyanopyridine-3-thiones. The presence of two different reactive functional groups NH2 and CONH gives the possibility of carrying out different conversions of thieno[2,3-b]pyridines.