噻吩并[2,3-b]吡啶-2-甲酰胺,3-氨基-4-(甲氧基甲基)-6-甲基-N-苯基- | 185430-54-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 噻吩并[2,3-b]吡啶-2-甲酰胺,3-氨基-4-(甲氧基甲基)-6-甲基-N-苯基-
• 英文名称: 3-amino-4-(methoxymethyl)-6-methyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
• 英文别名: N2-phenyl-3-amino-4-methoxymethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide；3-amino-4-methoxymethyl-6-methyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide；3-amino-4-methoxymethyl-6-methylthieno[2,3-b]pyridine-2-carboxylic acid phenylamide
• CAS: 185430-54-0
• 化学式: C₁₇H₁₇N₃O₂S
• mdl: MFCD00741843
• 分子量: 327.407
• InChiKey: NVMLWIVBRXDHGT-UHFFFAOYSA-N

物化性质

• 熔点：
  180-181 °C
• 沸点：
  455.1±45.0 °C(Predicted)
• 密度：
  1.348±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  噻吩并[2,3-b]吡啶-2-甲酰胺,3-氨基-4-(甲氧基甲基)-6-甲基-N-苯基- 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  Secondary 3-Aminothieno[2,3-b]Pyridine-2-Carboxamides in Reaction with ortho-Formylbenzoic Acid

  摘要：

  The reaction of secondary 3-aminothieno[2,3-b]pyridine-2-carboxamides with ortho-formylbenzoic acid gave angular (+/-)-7,7a-dihydropyrido[3",2":4',5']thieno[2',3':5,6]pyrimido[2,1-a]isoindole-6,12-diones. The intermediate products, (+/-)-(1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)benzoic acids, were isolated in some cases. Secondary N-[(5-methylfuran-2-yl)methyl]carboxamides were shown to form linear isoindole-6,8-diones in this reaction. One of the angular isoindole-6,12-dione derivatives was studied by X-ray structural analysis. Dynamic NMR was used to characterize the degenerate intramolecular rotation in molecules of isoindole-6,12-diones.

  DOI：

  10.1007/s10593-015-1648-y
• 作为产物：
  描述：

  4-(methoxymethyl)-6-methyl-3-cyanopyridine-2(1H)-thione 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 噻吩并[2,3-b]吡啶-2-甲酰胺,3-氨基-4-(甲氧基甲基)-6-甲基-N-苯基-
  参考文献：
  名称：

  Synthesis of substituted 2-alkyl(aryl)thio-3-cyanopyridines and 3-aminothieno[2,3-b]pyridines

  摘要：

  DOI：

  10.1007/bf01169240

文献信息

• Some Transformations of Tertiary<i>N</i>-Furfurylamides of Aromatic and Heteroaromatic Carboxylic Acids under Acidic Conditions
  作者：Tatyana Stroganova、Vladimir Vasilin、Elena Zelenskaya、Viktor Red’kin、Gennady Krapivin

  DOI：10.1055/s-2008-1067267

  日期：2008.10

  Acid-catalyzed transformations of tertiary N-furfurylamides of ortho-amino substituted aromatic and heteroaromatic carboxylic acids accompanied by elimination of the furfuryl moiety are investigated.

  研究了邻氨基取代的芳族和杂芳族羧酸的叔 N-糠酰胺的酸催化转化，伴随着糠基部分的消除。
• Reaction of vicinal thieno[2,3-b]pyridine aminoamides with Lawesson’s reagent
  作者：V. M. Red’kin、T. A. Stroganova、V. K. Vasilin、G. D. Krapivin

  DOI：10.1007/s10593-013-1196-2

  日期：2013.2

  The reaction of vicinal thieno[2,3-b]pyridine aminoamides with Lawesson’s reagent gave new condensed diazaphosphinine derivatives. The structure of the substituent at the amide nitrogen atom and the reagent ratio were found to affect the direction of this reaction.

  邻位噻吩并[2,3- b ]吡啶氨基酰胺与Lawesson试剂的反应产生了新的缩合的二氮杂亚膦酰基衍生物。发现酰胺氮原子上的取代基的结构和试剂比率影响该反应的方向。
• 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。
• US9301949B2
  申请人：——

  公开号：US9301949B2

  公开（公告）日：2016-04-05