7-morpholin-4-yl-8,9,10,11-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-4(3H)-one | 316360-74-4

• 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: 7-morpholin-4-yl-8,9,10,11-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-4(3H)-one
• 英文别名: 5-morpholin-4-yl-1,2,3,4-tetrahydro-9H-7-thia-6,9,11-triazabenzo[c]fluoren-8-one；5-(4-Morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol；8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-13-one
• CAS: 316360-74-4
• 化学式: C₁₇H₁₈N₄O₂S
• 分子量: 342.422
• InChiKey: RVAUIGBOYGKPSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  95.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-morpholin-4-yl-8,9,10,11-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-4(3H)-one 在 吡啶 、 一水合肼 、 三氯氧磷 作用下， 以 异丙醇 为溶剂， 反应 5.0h， 生成 4-hydrazino-7-(morpholin-4-yl)-8,9,10,11-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
  参考文献：
  名称：

  嘧啶环上带有稠合三唑或四唑环的吡喃基和硫代吡喃并吡喃并噻吩并嘧啶和嘧啶并噻吩并异喹啉的合成

  摘要：

  环缩合反应得到在嘧啶环上带有稠合的三唑或四唑环的7,10-二氢-8H-吡喃基-和7,10-二氢-8H-硫代吡喃并吡喃并噻吩并嘧啶和7,8,9,10-四氢吡喃并噻吩并异喹啉。

  DOI：

  10.1007/s10593-012-1148-2
• 作为产物：
  描述：

  1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid amide 、 原甲酸三乙酯 在 溶剂黄146 作用下， 反应 0.5h， 以81%的产率得到7-morpholin-4-yl-8,9,10,11-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-4(3H)-one
  参考文献：
  名称：

  吗啉代四氢噻吩并[2,3-c]异喹啉的合成

  摘要：

  1-吗啉-4-yl-5,6,7,8-四氢异喹啉-4-甲腈 (2) 由 3-amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4 合成-甲腈 (1) 并用作合成许多噻吩并四氢异喹啉 (4) 的原料，而这些原料又用于合成许多嘧啶并噻吩并四氢异喹啉。

  DOI：

  10.1002/jccs.200800193

文献信息

• [EN] THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS<br/>[FR] DÉRIVÉS DE THIÉNOPYRIDINE POUR LE TRAITEMENT ET LA PRÉVENTION D'INFECTIONS PAR LE VIRUS DE LA DENGUE
  申请人：SIGA TECHNOLOGIES INC

  公开号：WO2010099166A1

  公开（公告）日：2010-09-02

  Methods and pharmaceutical compositions for treating viral infections, by administering certain thienopyridine derivative compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.

  本发明公开了用于治疗病毒感染的方法和药物组合物，通过给予治疗有效量的特定噻吩吡啶衍生物化合物来实现。还公开了使用这些化合物和药物组合物的方法。具体公开了治疗和预防由黄病毒等病毒引起的感染，包括但不限于登革病毒、西尼罗河病毒、黄热病病毒、日本脑炎病毒和蜱传脑炎病毒。
• Synthesis of Morphlinotetrahydrothieno[2,3-c]Isoquinolines
  作者：Adel M. Kamal El-Dean、Shaban M. Radwan、Remon M. Zaki

  DOI：10.1002/jccs.200800193

  日期：2008.12

  synthesized from 3-amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4-carbonitrile (1) and used as starting material to synthesize many thienotetrahydroisoquinolines (4), which in turn were used in the synthesis of many pyrimidothienotetrahydroisoquinolines.

  1-吗啉-4-yl-5,6,7,8-四氢异喹啉-4-甲腈 (2) 由 3-amino-1-thioxo-5,6,7,8-tetrahydro-1H-isothiochromene-4 合成-甲腈 (1) 并用作合成许多噻吩并四氢异喹啉 (4) 的原料，而这些原料又用于合成许多嘧啶并噻吩并四氢异喹啉。
• Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections
  申请人：Byrd Chelsea M.

  公开号：US20120022046A1

  公开（公告）日：2012-01-26

  Methods and pharmaceutical compositions for treating viral infections, by administering certain thienopyridine derivative compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.

  本发明揭示了通过以治疗有效量的某些噻唑吡啶衍生物化合物进行给药来治疗病毒感染的方法和制药组合物。本发明还揭示了使用这些化合物和制药组合物的方法。具体地，本发明揭示了治疗和预防由黄热病毒、日本脑炎病毒、西尼罗河病毒、登革热病毒和蜱传脑炎病毒等引起的病毒感染的方法。
• THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS
  申请人：Siga Technologies, Inc.

  公开号：US20160152635A1

  公开（公告）日：2016-06-02

  Methods and pharmaceutical compositions for treating viral infections, by administering certain thienopyridine derivative compounds in therapeutically effective amounts are disclosed. Methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by flavivirus is disclosed, i.e., including but not limited to, Dengue virus, West Nile virus, yellow fever virus, Japanese encephalitis virus, and tick-borne encephalitis virus.

  本发明公开了通过以治疗有效剂量给予某些噻唑吡啶衍生物化合物来治疗病毒感染的方法和制药组合物。本发明还公开了使用这些化合物和其制药组合物的方法。具体而言，本发明公开了治疗和预防由黄热病毒、日本脑炎病毒、蜱传脑炎病毒等引起的病毒感染的方法，但不限于此。
• 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.