4-isoutanoylbenzenesulfonamide | 161767-98-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-isoutanoylbenzenesulfonamide
• 英文别名: 4-(2-Methyl-1-oxopropyl)benzenesulfonamide；4-(2-methylpropanoyl)benzenesulfonamide
• CAS: 161767-98-2
• 化学式: C₁₀H₁₃NO₃S
• 分子量: 227.284
• InChiKey: XKYUQFYTQPDIMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  85.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  环己基异氰酸酯 、 4-isoutanoylbenzenesulfonamide 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 20.0h， 以47%的产率得到4-isobutanoyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
  参考文献：
  名称：

  Catalytic Properties of Carbonyl Reductase from Rabbit Kidney for Acetohexamide and Its Analogs

  摘要：

  Analogs submitted by ethyl, n-propyl, n-butyl, and isopropyl groups instead of methyl group adjacent to a ketone group of acetohexamide were synthesized and the structural requirements of carbonyl reductase from rabbit kidney for these analogs were kinetically examined. The hydrophobicities in straight-chain alkyl groups of acetohexamide analogs were found to play an important role in the catalytic activity and substrate-binding capacity of the enzyme. We propose the possibility that a hydrophobic pocket is located in the substrate-binding domain of the enzyme. (C) 1998 Academic Press, Inc.

  DOI：

  10.1006/bioo.1994.1032
• 作为产物：
  描述：

  4-isobutylbenzenesulfonamide 在 chromium(VI) oxide 、 溶剂黄146 作用下， 反应 5.0h， 以38%的产率得到4-isoutanoylbenzenesulfonamide
  参考文献：
  名称：

  Catalytic Properties of Carbonyl Reductase from Rabbit Kidney for Acetohexamide and Its Analogs

  摘要：

  Analogs submitted by ethyl, n-propyl, n-butyl, and isopropyl groups instead of methyl group adjacent to a ketone group of acetohexamide were synthesized and the structural requirements of carbonyl reductase from rabbit kidney for these analogs were kinetically examined. The hydrophobicities in straight-chain alkyl groups of acetohexamide analogs were found to play an important role in the catalytic activity and substrate-binding capacity of the enzyme. We propose the possibility that a hydrophobic pocket is located in the substrate-binding domain of the enzyme. (C) 1998 Academic Press, Inc.

  DOI：

  10.1006/bioo.1994.1032

文献信息

• Novel peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：Saksena K. Anil

  公开号：US20070032433A1

  公开（公告）日：2007-02-08

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS
  申请人：Saksena Anil K.

  公开号：US20110117057A1

  公开（公告）日：2011-05-19

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明披露了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明披露了包含这些化合物的制药组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• Oligonucleotides, compositions and methods thereof
  申请人：WAVE LIFE SCIENCES LTD.

  公开号：US11013757B2

  公开（公告）日：2021-05-25

  The present disclosure pertains to the recognition that immune responses mediated by CpG oligonucleotides can be affected by the stereochemistry of modified internucleotidic linkages such as phosphorothioates. In some embodiments, the present disclosure relates to chirally controlled CpG oligonucleotide compositions comprising CpG oligonucleotides comprising multiple modified internucleotidic linkages such as phosphorothioate linkages, wherein the oligonucleotides comprise one or more CpG region motifs having defined stereochemistry patterns of chiral internucleotidic linkages. In some embodiments, CpG oligonucleotides comprising one or more CpG region motifs are capable of agonizing an immune response. In some embodiments, CpG oligonucleotides comprising one or more CpG region motifs are antagonistic. Methods for making and using chirally controlled CpG oligonucleotide compositions are also described. In some embodiments, no immune modulation is desired, and the present disclosure provides methods of identifying chirally controlled oligonucleotide compositions which have decreased immune modulation.

  本公开涉及这样一种认识，即 CpG 寡核苷酸介导的免疫反应可受硫代磷酸酯等修饰的核苷酸间连接的立体化学的影响。在一些实施方案中，本公开涉及手性控制的 CpG 寡核苷酸组合物，该组合物包含CpG 寡核苷酸，该CpG 寡核苷酸包含多个修饰的核苷酸间连接，如硫代磷酸酯连接，其中寡核苷酸包含一个或多个 CpG 区域基序，该 CpG 区域基序具有手性核苷酸间连接的确定立体化学模式。在一些实施方案中，包含一个或多个 CpG 区域基团的 CpG 寡核苷酸能够激动免疫反应。在某些实施方案中，包含一个或多个 CpG 区域基团的 CpG 寡核苷酸具有拮抗作用。还描述了制作和使用啁啾控制 CpG 寡核苷酸组合物的方法。在某些实施方案中，不需要免疫调节，本公开提供了确定免疫调节性降低的手性控制寡核苷酸组合物的方法。
• Heteroaryl Nitrile Compounds Useful as Inhibitors of Cathepsin-S
  申请人：Burke Michael J.

  公开号：US20130158018A1

  公开（公告）日：2013-06-20

  Disclosed are Cathepsin-S reversible inhibitor compounds of the formula (I) which are useful in the treatment of autoimmune and other diseases. Also disclosed are pharmaceutical compositions containing the same, and methods of making and using the same.
• OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF
  申请人：WAVE LIFE SCIENCES LTD.

  公开号：US20190127733A1

  公开（公告）日：2019-05-02

  Among other things, the present disclosure relates to designed oligonucleotides, compositions, and methods thereof. In some embodiments, provided oligonucleotide compositions provide altered splicing of a transcript. In some embodiments, provided oligonucleotide compositions have low toxicity. In some embodiments, provided oligonucleotide compositions provide improved protein binding profiles. In some embodiments, provided oligonucleotide compositions have improved delivery. In some embodiments, provided oligonucleotide compositions have improved uptake. In some embodiments, the present disclosure provides methods for treatment of diseases using provided oligonucleotide compositions.