2-Acetyl-5-(p-isopropylphenyl)thiophene | 93599-29-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-Acetyl-5-(p-isopropylphenyl)thiophene
• 英文别名: 1-[5-(4-Propan-2-ylphenyl)thiophen-2-yl]ethanone
• CAS: 93599-29-2
• 化学式: C₁₅H₁₆OS
• mdl: MFCD11206973
• 分子量: 244.357
• InChiKey: VSMBWDUOOZWUGE-UHFFFAOYSA-N

物化性质

• 沸点：
  383.7±37.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.266
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Acetyl-5-(p-isopropylphenyl)thiophene 在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以85%的产率得到1-[5-(4-Isopropyl-phenyl)-thiophen-2-yl]-ethanone oxime
  参考文献：
  名称：

  Shridhar, D. R.; Sastry, C. V. Reddy; Chaturvedi, S. C., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 7, p. 692 - 694

  摘要：

  DOI：
• 作为产物：
  描述：

  4-异丙基苯胺 在 盐酸 、 18-冠醚-6 、 sodium nitrite 作用下， 反应 8.0h， 生成 2-Acetyl-5-(p-isopropylphenyl)thiophene
  参考文献：
  名称：

  Shridhar, D. R.; Sastry, C. V. Reddy; Chaturvedi, S. C., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 7, p. 692 - 694

  摘要：

  DOI：

文献信息

• Viral Polymerase Inhibitors
  申请人：Beaulieu Pierre Louis

  公开号：US20090087409A1

  公开（公告）日：2009-04-02

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein: A is O, S, NR 1 , or CR 1 , wherein R 1 is defined herein; represents either a single or a double bond; R 2 is selected from: H, halogen, R 21 , OR 21 , SR 21 , COOR 21 , SO 2 N(R 22 ) 2 , N(R 22 ) 2 , CON(R 22 ) 2 , NR 22 C(O)R 22 or NR 22 C(O)NR 22 wherein R 21 and each R 22 is defined herein; B is NR 3 or CR 3 , with the proviso that one of A or B is either CR 1 or CR 3 , wherein R 3 is defined herein; K is N or CR 4 , wherein R 4 is defined herein; L is N or CR 5 , wherein R 5 has the same definition as R 4 ; M is N or CR 7 , wherein R 7 has the same definition as R 4 ; Y 1 is O or S; Z is N(R 6a )R 6 or OR 6 , wherein R 6a is H or alkyl or NR 61 R 62 wherein R 61 and R 62 are defined herein; and R 6 is H, alkyl, cycloalkyl, alkenyl, Het, alkyl-aryl, alkyl-Het; or R 6 is wherein R 7 and R 8 and Q are as defined herein; Y 2 is O or S; R 9 is H, (C 1-6 alkyl), (C 3-7 )cycloalkyl or (C 1-6 )alkyl-(C 3-7 )cycloalkyl, aryl, Het, (C 1-6 )alkyl-aryl or (C 1-6 )alkyl-Het, all of which optionally substituted with R 90 ; or R 9 is covalently bonded to either of R 7 or R 8 to form a 5- or 6-membered heterocycle; a salt or a derivative thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的同分异构体、对映异构体、非对映异构体或互变异构体，由公式I表示：其中：A为O、S、NR1或CR1，其中R1在此定义；表示单键或双键；R2选自：H、卤素、R21、OR21、SR21、COOR21、SO2N（R22）2、N（R22）2、CON（R22）2、NR22C（O）R22或NR22C（O）NR22，其中R21和每个R22在此定义；B为NR3或CR3，但A或B中的一个为CR1或CR3，其中R3在此定义；K为N或CR4，其中R4在此定义；L为N或CR5，其中R5具有与R4相同的定义；M为N或CR7，其中R7具有与R4相同的定义；Y1为O或S；Z为N（R6a）R6或OR6，其中R6a为H或烷基，或NR61R62，其中R61和R62在此定义；R6为H、烷基、环烷基、烯基、Het、烷基-芳基、烷基-Het；或R6为，其中R7、R8和Q在此定义；Y2为O或S；R9为H、（C1-6）烷基、（C3-7）环烷基或（C1-6）烷基-（C3-7）环烷基、芳基、Het、（C1-6）烷基-芳基或（C1-6）烷基-Het，其中所有这些都可以选择地用R90取代；或R9与R7或R8中的任意一个共价键结合形成5-或6-成员杂环；其盐或衍生物，作为HCV NS5B聚合酶的抑制剂。
• Analogs of fexaramine and methods of making and using
  申请人：Salk Institute for Biological Studies

  公开号：US10301268B2

  公开（公告）日：2019-05-28

  Novel compounds having a formula embodiments of a method of making the same, and of a composition comprising them are disclosed herein. Also disclosed are embodiments of a method of treating or preventing a metabolic disorder in a subject, comprising administering to a subject (e.g., via the gastrointestinal tract) a therapeutically effective amount of one or more of the disclosed compounds, thereby activating FXR receptors in the intestines, and treating or preventing a metabolic disorder in the subject. Additionally disclosed are embodiments of a method of treating or preventing inflammation in an intestinal region of a subject, comprising administering to the subject (e.g., via the gastrointestinal tract) a therapeutically effective amount of one or more of the disclosed compounds, thereby activating FXR receptors in the intestines, and thereby treating or preventing inflammation in the intestinal region of the subject.

  具有以下式子的新型化合物 本文公开了具有式的新型化合物、其制造方法的实施方案以及包含它们的组合物。还公开了一种治疗或预防受试者代谢紊乱的方法的实施方案，包括向受试者施用（例如通过胃肠道）治疗有效量的一种或多种已公开化合物，从而激活肠道中的FXR受体，治疗或预防受试者的代谢紊乱。此外，还公开了一种治疗或预防受试者肠道区域炎症的方法的实施方案，该方法包括向受试者施用（例如，经由胃肠道）治疗有效量的一种或多种所公开化合物，从而激活肠道中的FXR受体，进而治疗或预防受试者肠道区域的炎症。
• SHRIDHAR, D. R.;SASTRY, C. V. REDDY;CHATURVEDI, S. C.;GURUMURTHY, R.;SING+, INDIAN J. CHEM., 1985, 23, N 7, 692-694
  作者：SHRIDHAR, D. R.、SASTRY, C. V. REDDY、CHATURVEDI, S. C.、GURUMURTHY, R.、SING+

  DOI：——

  日期：——
• ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING
  申请人：Salk Institute for Biological Studies

  公开号：US20170066724A1

  公开（公告）日：2017-03-09

  Novel compounds having a formula embodiments of a method of making the same, and of a composition comprising them are disclosed herein. Also disclosed are embodiments of a method of treating or preventing a metabolic disorder in a subject, comprising administering to a subject (e.g., via the gastrointestinal tract) a therapeutically effective amount of one or more of the disclosed compounds, thereby activating FXR receptors in the intestines, and treating or preventing a metabolic disorder in the subject. Additionally disclosed are embodiments of a method of treating or preventing inflammation in an intestinal region of a subject, comprising administering to the subject (e.g., via the gastrointestinal tract) a therapeutically effective amount of one or more of the disclosed compounds, thereby activating FXR receptors in the intestines, and thereby treating or preventing inflammation in the intestinal region of the subject.
• INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS
  申请人：Salk Institute for Biological Studies

  公开号：US20180000768A1

  公开（公告）日：2018-01-04

  Disclosed are embodiments of a method of treating or preventing latent autoimmune diabetes of adults (LADA) in a subject. Such embodiments include administering to a subject (e.g., via the gastrointestinal tract) a therapeutically effective amount of one or farnesoid X receptor (FXR) agonist compounds, thereby activating FXR receptors in the intestines, and treating or preventing latent autoimmune diabetes of adults (LADA) in the subject.