4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline | 142706-74-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline
• 英文别名: 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzenamine；1H,1H-heptafluorobutyl 4-aminophenyl ether；4-(2',2',3',3',4',4',4'-heptafluorobutanoxy)aminobenzene；4-(1H,1H-Heptafluorobutoxy)aniline；4-(2,2,3,3,4,4,4-heptafluorobutoxy)aniline
• CAS: 142706-74-9
• 化学式: C₁₀H₈F₇NO
• 分子量: 291.168
• InChiKey: MSKXUCZYFWBJQG-UHFFFAOYSA-N

物化性质

• 沸点：
  244.4±40.0 °C(Predicted)
• 密度：
  1.430±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline 在 sodium hydroxide 、 硫酸 、 sodium carbonate 、 potassium carbonate 、 potassium iodide 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 1.0h， 生成 2-Methyl-acrylic acid 6-{4-[4-(2,2,3,3,4,4,4-heptafluoro-butoxy)-phenylazo]-phenoxy}-hexyl ester
  参考文献：
  名称：

  Synthesis of 4-(1H,1H-perfluoroalkoxy)-4′-(6-methacryloyloxy-hexyloxy)-azobenzenes and their liquid crystalline intermediates

  摘要：

  The synthesis and characterization of 4-(1H,1H-perfluoroalkoxy)-4'-(6-methacryloyloxy-hexyloxy)-azobenzenes with different lengths of the fluorinated tail group (C-2-C-8) and their liquid crystalline intermediates, starting from 1H,1H-perfluoroalkyl-p-nitrophenyl-ethers is described. The liquid crystalline properties of the compounds were studied by differential scanning calorimetry, polarizing optical microscopy and X-ray diffraction methods. In contrast with their non-fluorinated analogues, all the liquid crystalline products display smectic mesophases caused by the fluorination of the tail group. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0022-1139(97)00076-6
• 作为产物：
  描述：

  4-nitro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline
  参考文献：
  名称：

  Diamine derivatives as inhibitors of leukotriene A4 hydrolase

  摘要：

  这项发明涉及式(I)的化合物： 其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，可以是单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂合物、包合物、多型体、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病中有用。还公开了包括该发明化合物的药物组合物以及制备该发明化合物的方法。

  公开号：

  US20070155726A1

文献信息

• Antibacterial compound
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030171330A1

  公开（公告）日：2003-09-11

  A compound of formula (I) 1 wherein R 1 and R 2 represent a hydrogen atom or an aryl, a heterocyclic, an alkyl or an alkenyl, which are optionally substituted, R 3 represents a hydrogen atom or a hydroxyl and X 1 and X 2 represent an oxygen atom, a sulfur atom or a nitrogen containing group, a pharmaceutically acceptable derivative thereof or a salt thereof. A pharmaceutical composition comprising the compound for the prevention or treatment of a bacterial infection. A method for the prevention or treatment of a bacterial infection in a warm-blooded animal comprising administering a pharmacologically effective amount of the compound.

  式（I）的化合物，其中R1和R2代表氢原子或芳基、杂环基、烷基或烯基，可以是可选择取代的；R3代表氢原子或羟基；X1和X2代表氧原子、硫原子或含氮基团，其药用上可接受的衍生物或盐。包括该化合物的药物组合物，用于预防或治疗细菌感染。一种方法，用于在温血动物中预防或治疗细菌感染，包括给予该化合物的药理有效量。
• DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE
  申请人：Celtaxsys, Inc.

  公开号：US20150080382A1

  公开（公告）日：2015-03-19

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  该发明涉及式（I）的化合物：其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，作为单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂化合物、包合物、多晶体、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此可用于治疗炎症性疾病。本发明还公开了包含该化合物的制药组合物以及制备该化合物的方法。
• Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase
  申请人：Arnaiz Damian

  公开号：US20100210630A1

  公开（公告）日：2010-08-19

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4 , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , and R 9 are described herein, as single stereoisomers or as mixtures of stereoisomers, or pharmaceutically acceptable salts, solvates, clathrates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of preparing the compounds of the invention are also disclosed.

  本发明涉及化合物的公式(I)：其中r、q、R、R2、R3、R4、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8和R9如本文所述，可以作为单一立体异构体或立体异构体混合物，或其药学上可接受的盐、溶剂合物、包合物、多晶体、铵离子、N-氧化物或前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病方面有用。本发明还公开了包含该化合物的制药组合物以及制备该化合物的方法。
• INHIBITORS OF LEUKOTRIENE A4 HYDROLASE
  申请人：Celtaxsys, Inc.

  公开号：US20160068524A1

  公开（公告）日：2016-03-10

  The present invention is directed to compounds encompassed by the Formula (I), pharmaceutical compositions thereof, methods for inhibiting LTA-4 hydrolase, and methods for the treatment of a disease and disorder which is ameliorated by the inhibition of LTA4-h activity. Non-limiting examples of such diseases and conditions include inflammatory and autoimmune diseases and disorders.

  本发明涉及公式（I）所包含的化合物、其药物组合物、抑制LTA-4水解酶的方法，以及通过抑制LTA4-h活性改善疾病和障碍的方法。此类疾病和症状的非限定性示例包括炎症和自身免疫性疾病和障碍。
• NOVEL A-500359 DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1209166A1

  公开（公告）日：2002-05-29

  The present invention relates to a compound of formula (I) (wherein R1 and R2 represent an aryl group, a heterocyclic group, an alkyl group, an alkenyl group and the like which are optionally substituted, R3 represents a hydrogen atom or a hydroxyl group, and X1 and X2 represent an oxygen atom or a sulfur atom, or a nitrogen atom which may be substituted), a pharmaceutically acceptable derivative thereof or a salt thereof. The present invention also relates to a pharmaceutical composition comprising a compound described above as an active ingredient for the prevention or treatment of bacterial infections. The present invention includes the use of a compound described above in order to prepare a medicament effective in the prevention or treatment of bacterial infections. The present invention is concerned with a method for the prevention or treatment of bacterial infections in warm-blooded animals comprising administering a pharmacologically effective amount of a compound described above to them.

  本发明涉及一种式(I)化合物（其中 R1 和 R2 代表芳基、杂环基、烷基、烯基等任选被取代的基团，R3 代表氢原子或羟基，X1 和 X2 代表氧原子或硫原子或可被取代的氮原子）、其药学上可接受的衍生物或其盐。 本发明还涉及一种药物组合物，其中包含上述化合物作为活性成分，用于预防或治疗细菌感染。 本发明包括使用上述化合物制备有效预防或治疗细菌感染的药物。 本发明涉及一种预防或治疗温血动物细菌感染的方法，包括给温血动物服用药理有效量的上述化合物。