NE-21610 | 118090-17-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: NE-21610
• 英文别名: N-((4(2-aminoethoxy)-3-methoxyphenyl)methyl)-9Z-octadecenamide；N-((4-(2-Aminoethoxy)-3-methoxyphenyl)methyl)-9-octadecenamide；(Z)-N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]octadec-9-enamide
• CAS: 118090-17-8
• 化学式: C₂₈H₄₈N₂O₃
• 分子量: 460.701
• InChiKey: BTKHXNIRAYKGMN-KHPPLWFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  33
• 可旋转键数：
  21
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-((4-(2-azidoethoxy)-3-methoxyphenyl)-methyl)-9Z-octadecenamide 以70的产率得到NE-21610
  参考文献：
  名称：

  Novel compounds, pharmaceutical compositions, and methods for treating

  摘要：

  本发明涉及β-氨基乙基取代的苯基化合物，特别是β-氨基乙氧基取代的苯基化合物。本发明还涉及包含本发明化合物的安全有效量和药用可接受载体的制药组合物。本发明还涉及通过给予本发明化合物或组合物来在人类和低等动物中产生镇痛和减轻炎症的方法。此外，本发明还涉及制备本发明化合物和在这些合成方法中有用的中间体的方法。

  公开号：

  US05045565A1

文献信息

• The use of vanilloids for the manufacture of a medicament for treating herpes simplex infections
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0347000A2

  公开（公告）日：1989-12-20

  The present invention provides methods of treating or preventing herpes simplex infections in humans and lower animals by treatment with natural and synthetic vanilloid compounds, and the pharmaceutically-acceptable salts and amides thereof, having the general structure: n = 0 or 1; the -W-X- moiety is selected from -C(O)NH-, -C(S)NH-, -S(0)₂NH-, -NHC(O)O-, -NHC(S)O-, -NHC(O)NH-, -NHC(S)NH-, -C(O)O-, -C(O)S- and -C(O)N(R)-, wherein either available bond of the -W-X-moiety may be bonded to the -R moiety, with the other bond being attached to the benzyl carbon atom, or directly attached to the benzene ring; the -R¹ moiety is selected from hydrogen, hydroxy, alkyl esters of hydroxy having from about 1 to about 5 carbon atoms, alkyl having from about 1 to about 5 carbon atoms, and alkoxy having from about 1 to about 5 carbon atoms; the -Z moiety is selected from hydrogen, hydroxy and methoxy; the -Y- moiety is selected from -O-, -S-, -NH-, -OC(O)-, -OSO₃=- and -OPO₃=-; the -V moiety is selected from hydrogen, short chain alkyl, and -CR²₂-CR²₂-NH₂; the -R² moieties are each independently selected from hydrogen, halogen, unsubstituted or substituted alkyl having from about 1 to about 6 carbon atoms, substituted or unsubstituted aryl, and carboxylate, or two -R² moieties are covalently bonded to form a substituted or unsubstituted alkyl or heteroalkyl ring having from about 3 to about 8 atoms in the ring including from 0 to about 3 heteroatoms; and the -R moiety is a C₂-C₂₄ alkyl moiety which may be straight, branched or cyclic chain and may be saturated, monounsaturated, or polyunsaturated, substituted or unsubstituted, or two -R moieties are covalently bonded to form a substituted or unsubstituted alkyl ring having from about 2 to about 14 carbon atoms in the ring.

  本发明提供了通过使用具有一般结构的天然和合成香草素化合物及其药学上可接受的盐和酰胺来治疗或预防人类和低等动物的单纯疱疹感染的方法： n = 0 或 1；-W-X-分子选自-C(O)NH-、-C(S)NH-、-S(0)₂NH-、-NHC(O)O-、-NHC(S)O-、-NHC(O)NH-、-NHC(S)NH-、-C(O)O-、-C(O)S-和-C(O)N(R)-、其中-W-X-分子的任一可用键可与-R-分子结合，另一个键与苄基碳原子相连，或直接与苯环相连；-R¹分子选自氢、羟基、约 1 至约 5 个碳原子的羟基烷基酯、约 1 至约 5 个碳原子的烷基和约 1 至约 5 个碳原子的烷氧基；-Z分子选自氢、羟基和甲氧基；-Y-分子选自-O-、-S-、-NH-、-OC(O)-、-OSO₃=-和-OPO₃=-；-V分子选自氢、短链烷基和-CR²₂-CR²₂-NH₂；-R²分子各自独立地选自氢、卤素、具有约 1 至约 6 个碳原子的未取代或取代的烷基、取代或未取代的芳基和羧基，或两个-R²分子共价键合形成取代或未取代的烷基或杂烷基环，该环具有约 3 至约 8 个原子，包括 0 至约 3 个杂原子；-R分子是C₂-C₂₄烷基，可以是直链、支链或环链，可以是饱和的、单不饱和的或多不饱和的、取代的或未取代的，或者两个-R分子共价键合形成取代或未取代的烷基环，环中含有约2至约14个碳原子。
• The use of vanilloids for the treatment of respiratory diseases or disorders
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0401903A2

  公开（公告）日：1990-12-12

  The present invention provides methods of treating respira­tory diseases or disorders in humans and lower animals by treat­ment with natural and synthetic vanilloid compounds, and the pharmaceutically-acceptable salts thereof. This invention further relates to pharmaceutical compositions containing said natural and synthetic vanilloid compounds useful to treat the respiratory symptoms associated with respiratory diseases or disorders.

  本发明提供了通过使用天然和合成类香兰素化合物及其药学上可接受的盐类治疗人类和低等动物呼吸系统疾病或紊乱的方法。 本发明还涉及含有上述天然和合成类香草酮化合物的药物组合物，用于治疗与呼吸系统疾病或紊乱有关的呼吸道症状。
• Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0282127B1

  公开（公告）日：1994-02-02
• COMBINATIONS OF VANILLOID COMPOUNDS AND NUCLEOSIDE ANTIVIRAL COMPOUNDS FOR TREATMENT OF HERPES INFECTIONS
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0559744A1

  公开（公告）日：1993-09-15
• ION CHANNEL ACTIVATORS AND METHODS OF USE
  申请人：Flex Pharma, Inc.

  公开号：EP3131541A1

  公开（公告）日：2017-02-22