8-bromo-1,1,1-trifluorooctane | 407-67-0

• 物质功能分类: 有机原料 - 有机氟化合物
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 8-bromo-1,1,1-trifluorooctane
• CAS: 407-67-0
• 化学式: C₈H₁₄BrF₃
• 分子量: 247.098
• InChiKey: DUQYWQRWUZICCS-UHFFFAOYSA-N

物化性质

• 沸点：
  78-79 °C(Press: 10 Torr)
• 密度：
  1.299±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-bromo-1,1,1-trifluorooctane 在 hydrazine hydrate 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 methyl 5-(N,N-dimethylsulfamoyl)-2-methoxy-4-((8,8,8-trifluorooctyl)amino)benzoate
  参考文献：
  名称：

  用于治疗唐氏综合症核心症状的选择性 NKCC1 抑制剂的设计、合成、体外和体内表征

  摘要：

  细胞内氯化物浓度 [Cl – ] i在几种神经系统疾病中存在缺陷。在神经元中，[Cl – ] i主要受 Na + –K + –Cl –输入端 NKCC1 和 K + –Cl –输出端 KCC2的作用调节。最近，我们报道了发现ARN23746作为一类新型 NKCC1 选择性抑制剂的主要候选物。重要的是，ARN23746能够在小鼠模型中挽救唐氏综合症 (DS) 和自闭症的核心症状。在这里，我们描述了这类化学选择性 NKCC1 抑制剂的发现和广泛表征，重点是ARN23746和其他有前途的衍生物。特别是，我们提出了化合物40 ( ARN24092 ) 作为在 DS 小鼠模型中具有体内功效的备用/后续先导。这些结果进一步加强了这类新化合物在治疗以 NKCC1/KCC2 表达比率缺陷为特征的脑部疾病的核心症状方面的潜力。

  DOI：

  10.1021/acs.jmedchem.1c00603
• 作为产物：
  描述：

  8,8,8-trifluorooctanoic acid 在 lithium aluminium tetrahydride 、 乙醚 、 三溴化磷 作用下， 生成 8-bromo-1,1,1-trifluorooctane
  参考文献：
  名称：

  The Synthesis of ω-Trifluorostearic Acid and ω-Trifluoro-n-octadecyl Amine

  摘要：

  DOI：

  10.1021/jo01118a002

文献信息

• [EN] CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES<br/>[FR] DÉRIVÉS CARBOXY PRÉSENTANT DES PROPRIÉTÉS ANTI-INFLAMMATOIRES
  申请人：SITRYX THERAPEUTICS LTD

  公开号：WO2021130492A1

  公开（公告）日：2021-07-01

  The invention relates to compounds of formula (I) and to their use in treating or preventing an inflammatory disease or a disease associated with an undesirable immune response: (I) wherein, RA1, RA2, RC and RD are as defined herein.

  这项发明涉及式(I)的化合物及其在治疗或预防炎症性疾病或与不良免疫反应相关的疾病中的应用：(I)其中，RA1、RA2、RC和RD如本文所定义。
• 1,5-dideoxy-1,5-imino-D-glucitol derivatives
  申请人：G. D. Searle & Co.

  公开号：US05221746A1

  公开（公告）日：1993-06-22

  O-acylated derivatives of 1,5-dideoxy-1,5-imino-D-glucitol are disclosed that contain an N-alkyl or N-aroyl radical in which from one to four of the free hydroxyl groups are O-acylated with carboxylic alkanoyl radicals selected from the group consisting of .omega.,.omega.,.omega.-trifluoro alkanoyl having from three to eight carbon atoms, carboxylic cycloalkanoyl groups having from four to eight carbon atoms and carboxylic acyclic alkanoyl groups having from two to ten carbon atoms, wherein the N-aroyl radical is selected from the group consisting of p-decylbenzoyl, 3-(p-chlorophenoxy)propanoyl, 2-(acetyloxy)benzoyl, [1,1'-biphenyl]-4-ylcarbonyl, 2-thiopheneacetyl, trans-3-furanacryloyl 3-methoxyphenylacetyl and 3-(trifluoromethyl)benzoyl, and wherein the N-alkyl contains from one to fourteen carbon atoms, provided that when N-alkyl contains from one to five carbon atoms the O-acylated groups are .omega.,.omega.,.omega.-trifluoro alkanoyl or carboxylic cycloalkanoyl.

  披露了1,5-二去氧-1,5-亚胺-D-葡萄糖醇的O-酰化衍生物，其中含有一个到四个自由羟基被选自以下羧基烷酰基的羧基烷酰基的N-烷基或N-芳酰基，.omega.，.omega.，.omega.-三氟烷酰基，碳原子数为三至八个，具有四至八个碳原子的羧基环烷酰基和具有两至十个碳原子的羧基无环烷酰基，其中N-芳酰基选自以下羧基苯基，3-(对氯苯氧基)丙酰基，2-(乙酰氧基)苯甲酰基，[1,1'-联苯]-4-基甲酰基，2-噻吩乙酰基，反式-3-呋喃丙烯基3-甲氧基苯乙酰基和3-(三氟甲基)苯甲酰基，其中N-烷基含有一个到十四个碳原子，前提是当N-烷基含有一个到五个碳原子时，O-酰化基团为.omega.，.omega.，.omega.-三氟烷酰基或羧基环烷酰基。
• Antiviral compounds
  申请人：G. D. Searle & Co.

  公开号：US05310745A1

  公开（公告）日：1994-05-10

  A method of inhibiting lentivirus is disclosed which comprises mammalian host susceptible to said lentivirus with a virally inhibitory effective amount of an O-acylated derivative of 1,5-dideoxy-1,5-imino-D-glucitol and their N-alkyl, N-acyl and N-aroyl derivatives in which from one to four of the free hydroxyl groups are O-acylated with carboxylic alkanoyl radicals selected from the group consisting of .omega.,.omega.,.omega.-trifluoroalkanoyl having from three to eight carbon atoms, carboxylic cycloalkanoyl groups having from four to eight carbon atoms and carboxylic acyclic alkanoyl groups having from two to ten carbon atoms, wherein the N-aroyl groups contain from 7 to 14 carbon atoms, the N-acyl groups contain from 4 to 8 carbon atoms and the N-alkyl groups contain from 1 to 14 carbon atoms.

  本发明揭示了一种抑制慢病毒的方法，包括将哺乳动物宿主暴露于所述慢病毒的有效抑制量的1,5-二去氧-1,5-亚胺-D-葡萄糖醇的O-酰化衍生物及其N-烷基，N-酰基和N-芳酰衍生物中，其中从一个到四个自由羟基被选自由三至八个碳原子的羧基烷酰基的.omega.，.omega.，.omega.-三氟烷酰基，含有四至八个碳原子的环烷基羧基和含有两至十个碳原子的无环烷基羧基，其中N-芳酰基含有七至十四个碳原子，N-酰基含有四至八个碳原子，N-烷基含有一至十四个碳原子。
• 1,5-dideoxy-1,5-imino-d-glucitol derivatives
  申请人：G. D. Searle & Co.

  公开号：US05144037A1

  公开（公告）日：1992-09-01

  Antiviral O-acylated derivatives of 1,5-dideoxy-1,5-imino-D-glucitol are disclosed that contain an N-alkyl or N-aroyl radical in which from one to four of the free hydroxyl groups are O-acylated with carboxylic alkanoyl radicals selected from the group consisting of .omega.,.omega.,.omega.-trifluoro alkanoyl having from three to eight carbon atoms, carboxylic cycloalkanoyl groups having from four to eight carbon atoms and carboxylic acyclic alkanoyl groups having from two to ten carbon atoms, wherein the N-aroyl radical is selected from the group consisting of p-decylbenzoyl, 3-(p-chlorophenoxy)propanoyl, 2-(acetyloxy)benzoyl, [1,1'-biphenyl]-4-ylcarbonyl, 2-thiopheneacetyl, trans-3-furanacryloyl, 3-methoxyphenylacetyl and 3-(trifluoromethyl)benzoyl, and wherein the N-alkyl contains from one to fourteen carbon atoms, provided that when N-alkyl contains from one to five carbon atoms the O-acylated groups are .omega.,.omega.,.omega.-trifluoro alkanoyl or carboxylic cycloalkanoyl.

  本发明涉及1,5-二去氧-1,5-亚硝基-D-葡萄糖醇的抗病毒O-酰化衍生物，其中含有一个至四个游离羟基被选自由从三到八个碳原子的羧基脂肪酰基所选择的ω,ω,ω-三氟代烷酰基、从四到八个碳原子的环烷基羧基和从二到十个碳原子的非环烷基羧基的N-烷基或N-芳酰基，其中N-芳酰基被选自p-癸基苯甲酰基、3-(对氯苯氧基)丙酰基、2-(乙酰氧基)苯甲酰基、[1,1'-联苯]-4-基羰基、2-噻吩乙酰基、反式-3-呋喃丙烯酰基、3-甲氧基苯乙酰基和3-(三氟甲基)苯甲酰基，其中N-烷基含有从一个到十四个碳原子，但当N-烷基含有从一个到五个碳原子时，O-酰化基为ω,ω,ω-三氟代烷酰基或环烷基羧基。
• WO2021067836A5
  申请人：——

  公开号：WO2021067836A5

  公开（公告）日：2024-03-28