4,5-Tetramethylene-2-benzoylaminothiophene | 51948-22-2

• 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: 4,5-Tetramethylene-2-benzoylaminothiophene
• 英文别名: N-(4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-benzamide；N-(4,5,6,7-Tetrahydrobenzo[b]thiophen-2-yl)benzamide；N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
• CAS: 51948-22-2
• 化学式: C₁₅H₁₅NOS
• mdl: MFCD00434907
• 分子量: 257.356
• InChiKey: YIITUAGSKFHPMG-UHFFFAOYSA-N

物化性质

• 熔点：
  155-156 °C
• 沸点：
  339.5±42.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-Tetramethylene-2-benzoylaminothiophene 在 sodium tetrahydroborate 、 磷酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 1.5h， 生成 N-[3-(1-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
  参考文献：
  名称：

  Functional derivatives of thiophene

  摘要：

  DOI：

  10.1007/bf00766844
• 作为产物：
  描述：

  乙基2-(苯甲酰基氨基)-4,5,6,7-四氢-1-苯并噻吩-3-羧酸酯 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4,5-Tetramethylene-2-benzoylaminothiophene
  参考文献：
  名称：

  Functional derivatives of thiophene

  摘要：

  DOI：

  10.1007/bf00477559

文献信息

• Opening of the furan ring in 2-R-amino- 3-furfurylthiophenes by the action of acids
  作者：T. A. Stroganova、V. K. Vasilin、E. A. Elizarova

  DOI：10.1007/s10593-011-0715-2

  日期：2011.4

  A new method is proposed for the production of derivatives of thieno[2,3-b]pyrrole on the basis of acid-catalyzed recyclization of the furan ring in 2-R-amino-3-furfurylthiophenes. It was established that the direction of the transformations occurring under the influence of a mixture of hydrochloric and acetic acids and also the structure of the obtained compounds depend on the nature of the protecting

  提出了一种在2-R-氨基-3-糠基噻吩中呋喃环的酸催化环化基础上生产噻吩并[2,3-b]吡咯衍生物的新方法。已经确定，在盐酸和乙酸的混合物的影响下发生的转化的方向以及所获得的化合物的结构也取决于保护基的性质。
• SHVEDOV V. I.; XARIZOMENOVA I. A.; POMAHOBA O. B.; VASILEVA V. K.; GRINEV+, XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 7, 911-913
  作者：SHVEDOV V. I.、 XARIZOMENOVA I. A.、 POMAHOBA O. B.、 VASILEVA V. K.、 GRINEV+

  DOI：——

  日期：——
• SHVEDOV V. I.; XARIZOMENOVA I. A.; MEDVEDEVA N. V.; GRINEV A. N., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 7, 918-920
  作者：SHVEDOV V. I.、 XARIZOMENOVA I. A.、 MEDVEDEVA N. V.、 GRINEV A. N.

  DOI：——

  日期：——
• SHVEDOV V. I.; VASILEVA V. K.; XARIZOMENOVA I. A.; GRINEV A. N., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 6, 767-769
  作者：SHVEDOV V. I.、 VASILEVA V. K.、 XARIZOMENOVA I. A.、 GRINEV A. N.

  DOI：——

  日期：——
• 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.