3-Fluoro-4-(3(S)-(t-butoxycarbonyl)aminopyrrolidin-1-yl)nitrobenzene | 1000051-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3-Fluoro-4-(3(S)-(t-butoxycarbonyl)aminopyrrolidin-1-yl)nitrobenzene
• 英文别名: tert-butyl N-[1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl]carbamate
• CAS: 1000051-39-7
• 化学式: C₁₅H₂₀FN₃O₄
• mdl: MFCD11041644
• 分子量: 325.34
• InChiKey: NEANCRXTRSRSDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.533
• 拓扑面积：
  87.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• N-(3,4-disubstituted phenyl) salicylamide derivatives
  申请人：TOKUYAMA Ryukou

  公开号：US20080227784A1

  公开（公告）日：2008-09-18

  A compound represented by the following formula (I) or a salt thereof: wherein R 1 , R 2 , R 3 and R 4 represent hydrogen atom, a halogen atom, cyano group, nitro group, a C 1-4 alkyl group, a halogenated C 1-4 alkyl group or a C 1-4 alkoxy group, R 5 represents a halogen atom, cyano group, a C 1-4 alkyl group, a halogenated C 1-4 alkyl group or a C 1-4 alkoxy group, R 6 represents a C 5-7 cycloalkyl group, a substituted C 5-7 cycloalkyl group, a 5 to 7-membered completely saturated heterocyclic group or a substituted 5 to 7-membered completely saturated heterocyclic group, X represents a single bond, oxygen atom, sulfur atom, NR 7 , —O—CH 2 — or —N(R 8 )—CH 2 —, R 7 represents hydrogen atom or a C 1-4 alkyl group, or R 7 may combine with a substituent of R 6 to represent a single bond, methylene group or ethylene group, R 8 represents hydrogen atom, a C 1-4 alkyl group or a C 7-12 aralkyl group, which is useful as an active ingredient of a medicament for prophylactic and/or therapeutic treatment of diseases caused by an activation of STAT6 and/or NF-κB.

  由以下式（I）表示的化合物或其盐：其中R1、R2、R3和R4代表氢原子、卤原子、氰基、硝基、C1-4烷基、卤代C1-4烷基或C1-4烷氧基，R5代表卤原子、氰基、C1-4烷基、卤代C1-4烷基或C1-4烷氧基，R6代表C5-7环烷基、取代的C5-7环烷基、5至7-成员完全饱和杂环基或取代的5至7-成员完全饱和杂环基，X代表单键、氧原子、硫原子、NR7、—O—CH2—或—N(R8)— —，R7代表氢原子或C1-4烷基，或R7可以与R6的取代基结合以表示单键、亚甲基基团或乙烯基团，R8代表氢原子、C1-4烷基或C7-12芳基烷基，可用作药物的活性成分，用于预防和/或治疗由STAT6和/或NF-κB激活引起的疾病。
• Heterocyclylaminomethyloxazo-lidinones as antibacterials
  申请人：AstraZeneca AB

  公开号：US20030207899A1

  公开（公告）日：2003-11-06

  Compounds of formula (I) 1 , or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q3 and Q5; R 2 and R 3 are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R 13 CO—, R 13 SO 2 — or R 13 CS—; wherein R 13 is, for example, optionally substituted (1-10C)alkyl or R 14 C(O)O(1-6C)alkyl wherein R 14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  化合物的公式（I）1，或其药用盐，或其体内可水解酯，其中，例如，HET是一个含有2到4个异原子（N、O和S）的可选择取代的C-连接的5元杂环芳烃环；Q可以从Q3和Q5中选择；R2和R3独立地为氢或氟；T可以从一系列基团中选择，例如，一个N-连接的（完全不饱和的）5元杂环芳烃环系统或一个公式（TC5）的基团：其中Rc是，例如，R13CO—，R13SO2—或R13CS—；其中R13是，例如，可选择取代的（1-10C）烷基或R14C(O)O(1-6C)烷基，其中R14是可选择取代的（1-10C）烷基；作为抗菌剂是有用的；并描述了它们的制备方法和含有它们的药物组合物。
• NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：SCHWINK Lothar

  公开号：US20090264403A1

  公开（公告）日：2009-10-22

  The invention relates to azacyclyl-substituted aryldihydroisoquinolinones and their derivatives, and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one azacyclyl-substituted aryldihydroisoquinolinone of the invention or its derivative, and the use of the azacyclyl-substituted aryidihydroisoquinolinones of the invention and their derivatives as MCH antagonists.

  本发明涉及含氮杂环取代的芳基二氢异喹啉酮及其衍生物、其生理上可耐受的盐和生理功能衍生物、其制备方法、包含本发明中至少一种含氮杂环取代的芳基二氢异喹啉酮或其衍生物的药物以及将本发明中的含氮杂环取代的芳基二氢异喹啉酮及其衍生物用作MCH拮抗剂。
• AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：SANOFI

  公开号：EP1987020B1

  公开（公告）日：2012-10-03
• US6734200B1
  申请人：——

  公开号：US6734200B1

  公开（公告）日：2004-05-11