C-benzo[d]isoxazol-3-yl-N-isopropyl-methanesulfonamide | 68292-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: C-benzo[d]isoxazol-3-yl-N-isopropyl-methanesulfonamide
• 英文别名: 1-(benzo[d]isoxazol-3-yl)-N-isopropylmethanesulfonamide；1-(1,2-benzoxazol-3-yl)-N-propan-2-ylmethanesulfonamide
• CAS: 68292-05-7
• 化学式: C₁₁H₁₄N₂O₃S
• 分子量: 254.31
• InChiKey: IRWMJMZUAKQJLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2-苯异噁唑-3-甲烷磺酰氯 、 异丙胺 以 乙酸乙酯 为溶剂， 生成 C-benzo[d]isoxazol-3-yl-N-isopropyl-methanesulfonamide
  参考文献：
  名称：

  Studies on 3-substituted 1,2-benzisoxazole derivatives. 6. Syntheses of 3-(sulfamoylmethyl)-1,2-benzisoxazole derivatives and their anticonvulsant activities

  摘要：

  Several 3-(sulfamoylmethyl)-1,2-benzisoxazole derivatives were synthesized from 3-(bromomethyl)-1,2-benzisoxazole by the reaction with sodium bisulfite followed by chlorination and amination. Some of them displayed marked anticonvulsant activity in mice. The introduction of a halogen atom to the 5 position of the benzisoxazole ring caused increased activity and neurotoxicity; the substitution of a sulfamoyl group caused decreased activity. The activity of monoalkylated compounds might be the result of biotransformation. Among these compounds, 3-(sulfamoylmethyl)-1,2-benzisoxazole (1a) was thought to be the most promising as an anticonvulsant from the ratio of NTD50 and ED50.

  DOI：

  10.1021/jm00188a011

文献信息

• HIV REPLICATION INHIBITOR
  申请人：Shionogi & Co., Ltd.

  公开号：US20140249306A1

  公开（公告）日：2014-09-04

  The present invention provides a novel compound having an antiviral action, in particular, an HIV replication inhibiting action, as well as a pharmaceutical composition, in particular, an anti-HIV agent. wherein, a broken line means the presence or absence of a bond; R 1 is substituted or unsubstituted alkyl etc., R 2 is substituted or unsubstituted alkyloxy etc.; n is 1 or 2; R 3 is a substituted or unsubstituted aromatic carbocyclic group; R 4 is a hydrogen atom etc.; R 5 is a substituted or unsubstituted aromatic carbocyclic group etc.; Y is a single bond etc.; R 6 is substituted or unsubstituted alkyl; R 7 is —Z—R 71 etc.; Z is —NR 72 —CO— etc.; R 71 is substituted or unsubstituted alkyl etc.; R 72 is a hydrogen atom etc.

  本发明提供了一种具有抗病毒作用的新化合物，特别是具有抑制HIV复制作用的化合物，以及一种药物组合物，特别是一种抗HIV药物。其中，虚线表示键的存在或不存在；R1是取代或未取代的烷基等，R2是取代或未取代的烷氧基等；n为1或2；R3是取代或未取代的芳香环烷基；R4是氢原子等；R5是取代或未取代的芳香环烷基等；Y是单键等；R6是取代或未取代的烷基；R7是—Z—R71等；Z是—NR72—CO—等；R71是取代或未取代的烷基等；R72是氢原子等。
• [EN] MULTI- API LOADING PRODRUGS<br/>[FR] PROMÉDICAMENTS CHARGÉS DE MULTIPLES PRINCIPES ACTIFS
  申请人：ALKERMES INC

  公开号：WO2012088441A1

  公开（公告）日：2012-06-28

  The present invention accomplishes this by having multiple molecules of parent drugs attached to carrier moieties and by extending the period during which the parent drug is released and absorbed after administration to the patient and providing a longer duration of action per dose than the parent drug itself. Prodrug conjugates are suitable for sustained delivery of heteroaryl, lactam- amide-, imide-, sulfonamide-, carbamate-, urea-, benzamide-, acylaniline-, cyclic amide- and tertiary amine-containing parent drugs that are substituted at the amide nitrogen or oxygen atom with labile aldehyde-linked prodrug moieties. The carrier groups of the prodrugs can be hydrophobic to reduce the polarity and solubility of the parent drug under physiological conditions.

  本发明通过将多个母药分子附着在载体基团上，并延长母药在患者服用后释放和吸收的时间，从而实现此目的，并提供每剂次比母药本身更长的作用时间。前药偶联物适用于异杂环、内酰胺、酰胺、磺酰胺、氨基甲酸酯、脲、苯甲酰胺、酰基苯胺、环状酰胺和三级胺含有母药，该母药在酰胺氮或氧原子处以不稳定的醛类前药基团取代。前药的载体基团可以是疏水性的，在生理条件下降低母药的极性和溶解度。
• Multi-API Loading Prodrugs
  申请人：Zeidan Tarek A.

  公开号：US20120202823A1

  公开（公告）日：2012-08-09

  The present invention accomplishes this by having multiple molecules of parent drugs attached to carrier moieties and by extending the period during which the parent drug is released and absorbed after administration to the patient and providing a longer duration of action per dose than the parent drug itself. Prodrug conjugates are suitable for sustained delivery of heteroaryl, lactam- amide-, imide-, sulfonamide-, carbamate-, urea-, benzamide-, acylaniline-, cyclic amide- and tertiary amine-containing parent drugs that are substituted at the amide nitrogen or oxygen atom with labile aldehyde-linked prodrug moieties. The carrier groups of the prodrugs can be hydrophobic to reduce the polarity and solubility of the parent drug under physiological conditions.
• MULTI-API LOADING PRODRUGS
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20180194732A1

  公开（公告）日：2018-07-12

  The present invention accomplishes this by having multiple molecules of parent drugs attached to carrier moieties and by extending the period during which the parent drug is released and absorbed after administration to the patient and providing a longer duration of action per dose than the parent drug itself. Prodrug conjugates are suitable for sustained delivery of heteroaryl, lactam- amide-, imide-, sulfonamide-, carbamate-, urea-, benzamide-, acylaniline-, cyclic amide- and tertiary amine-containing parent drugs that are substituted at the amide nitrogen or oxygen atom with labile aldehyde-linked prodrug moieties. The carrier groups of the prodrugs can be hydrophobic to reduce the polarity and solubility of the parent drug under physiological conditions.
• US9199959B2
  申请人：——

  公开号：US9199959B2

  公开（公告）日：2015-12-01