[(4-Chloro-2-fluorophenyl)methyl](methyl)amine | 1094641-62-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(4-Chloro-2-fluorophenyl)methyl](methyl)amine
• 英文别名: 1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
• CAS: 1094641-62-9
• 化学式: C₈H₉ClFN
• mdl: MFCD11212389
• 分子量: 173.61
• InChiKey: MUZTUXIMFOZXRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSÉS PHARMACEUTIQUES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2013064543A1

  公开（公告）日：2013-05-10

  The invention provides compounds that are useful in the treatment of hepatitis C virus (HCV) infections. The compounds have the formula (1): or a salt, N-oxide, tautomer or stereoisomer thereof, wherein A is CH or N; E is CH or N; R1 is selected from: an optionally substituted acyclic C1-8 hydrocarbon group wherein one carbon atom of the acyclic C1-8 hydrocarbon group may optionally be replaced by O, S, NRC, S(O) or SO2, or two adjacent carbon atoms of the acyclic d-β hydrocarbon group may optionally be replaced by CONRc, NRcCO, NRcSO2 or SO2NRc provided that in each case at least one carbon atom of the acyclic C1-8 hydrocarbon group remains; and an optionally substituted monocyclic carbocyclic or heterocyclic group of 3 to 7 ring members, of which 0, 1, 2, 3 or 4 are heteroatom ring members selected from O, N and S; R2 is hydrogen or X-R8; X is a C1-8 alkanediyl group wherein one carbon atom of the C1-8 alkanediyl group may optionally be bonded to a -CH2-CH2- moiety to form a cyclopropane-1,1-diyl group or two adjacent carbon atoms of the C1-8 alkanediyl group may optionally be bonded to a -(CH2)n moiety, where n is 1 to 5, to form a C3-7-cycloalkane-1,2-diyl group; R3 is an optionally substituted 3- to 10-membered monocyclic or bicyclic carbocyclic or heterocyclic ring containing 0-3 heteroatom ring members selected from N, O and S; R4 is hydrogen or R43 wherein R43 is halogen; cyano; C1-4 alkyl; fluoro-1.4 alkyl; C1-4 alkoxy; fluoro-C1-4 alkoxy; hydroxy-C1-4 alkyl; or C1-2 alkoxy-C1-4 alkyl; R5 is hydrogen or R53 wherein R53 is selected from C1-2 alkyl optionally substituted with fluorine; C1-3 alkoxy optionally substituted with fluorine; halogen; cyclopropyl; and cyano; R8 is hydroxy or C(=O)NR10R11; provided that when R8 is hydroxy, there are at least two carbon atoms in line between the hydroxy group and the nitrogen atom to which X is attached; R10 is hydrogen or C1-4 alkyl; and R11 is hydrogen; amino-C2-4 alkyl or hydroxy-C2-4 alkyl; but excluding the compounds 1-(3-benzoylphenyl)-ethylamine and 1-(3-furan-2-oylcarbonylphenyl)-ethylamine.

  该发明提供了在治疗丙型肝炎病毒（HCV）感染中有用的化合物。这些化合物的化学式为（1）：或其盐、N-氧化物、互变异构体或立体异构体，其中A为CH或N；E为CH或N；R1从以下选取：一个可选择取代的非环C1-8碳氢化合物基团，其中非环C1-8碳氢化合物基团的一个碳原子可选择被O、S、NRC、S(O)或SO2取代，或者非环d-β碳氢化合物基团的两个相邻碳原子可选择被CONRc、NRcCO、NRcSO2或SO2NRc取代，但在每种情况下非环C1-8碳氢化合物基团至少保留一个碳原子；和一个可选择取代的含3至7个环成员的单环碳环或杂环基团，其中0、1、2、3或4个是O、N和S的杂原子环成员；R2为氢或X-R8；X为一个C1-8烷二基基团，其中C1-8烷二基基团的一个碳原子可选择与一个-CH2- -基团结合形成环丙烷-1,1-二基基团，或者C1-8烷二基基团的两个相邻碳原子可选择与一个-( )n基团结合，其中n为1至5，形成一个C3-7环烷-1,2-二基基团；R3为一个可选择取代的含0-3个N、O和S杂原子环成员的3至10个成员的单环或双环碳环或杂环环；R4为氢或R43，其中R43为卤素；氰基；C1-4烷基；氟代-1,4烷基；C1-4烷氧基；氟代-C1-4烷氧基；羟基-C1-4烷基；或C1-2烷氧基-C1-4烷基；R5为氢或R53，其中R53选自可选择用氟取代的C1-2烷基；可选择用氟取代的C1-3烷氧基；卤素；环丙基；和氰基；R8为羟基或C(=O)NR10R11；但当R8为羟基时，羟基与X连接的氮原子之间至少有两个碳原子；R10为氢或C1-4烷基；R11为氢；氨基-C2-4烷基或羟基-C2-4烷基；但不包括化合物1-(3-苯甲酰基苯基)-乙胺和1-(3-呋喃-2-酰基苯基)-乙胺。
• Bicyclic pyrimidine derivatives
  申请人：Arai Hitoshi

  公开号：US20070037834A1

  公开（公告）日：2007-02-15

  [wherein m and n may be the same or different and each represents an integer of 1 to 3 wherein m+n is 4 or less; R 1 represents —NR 4 R 5 (wherein R 4 and R 5 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted aralkyl or the like); R 2 represents the above Formula (II), Formula (IV) or the like; A represents a single bond, —C(═O)—, —SO 2 —, —OC(═O)— or the like; and R 3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted aralkyl or the like] Bicyclic pyrimidine derivatives represented by the above Formula (I), or quaternary ammonium salts thereof, or pharmaceutically acceptable salts thereof, or the like, are provided. These have anti-inflammatory activities or modulation activities on the functions of TARC and/or MDC and are useful for treating and/or preventing a disease which is related to T cells, such as an allergic disease, an autoimmune disease or transplant rejection.

  提供上述公式（I）所代表的双环嘧啶衍生物，其中m和n可以相同或不同，每个表示1至3的整数，其中m+n小于等于4；R1表示—NR4R5（其中R4和R5可以相同或不同，每个表示氢原子，取代或未取代的低碳基，取代或未取代的芳基烷基或类似物）；R2表示上述公式（II），公式（IV）或类似物；A表示单键，—C（═O）—，—SO2—，—OC（═O）—或类似物；R3表示取代或未取代的低碳基，取代或未取代的环烷基，取代或未取代的芳基烷基或类似物。还提供了上述公式（I）所代表的四元铵盐或药学上可接受的盐或类似物。这些化合物具有抗炎活性或对TARC和/或MDC功能的调节活性，并且用于治疗和/或预防与T细胞相关的疾病，例如过敏性疾病，自身免疫性疾病或移植排斥。
• TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160152628A1

  公开（公告）日：2016-06-02

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

  本发明提供了式（I）的化合物：或其立体异构体，互变异构体或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性ROCK抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗心血管，平滑肌，肿瘤，神经病理，自身免疫，纤维化和/或炎症性疾病的方法。
• Hepatitis B antiviral agents
  申请人：Novira Therapeutics, Inc.

  公开号：US10196376B2

  公开（公告）日：2019-02-05

  The present invention includes a method of inhibiting, suppressing or preventing HBV infection in an individual in need thereof, comprising administering to the individual a therapeutically effective amount of at least one compound of the invention.

  本发明包括一种在有需要的个体中抑制、抑制或预防 HBV 感染的方法，包括向该个体施用治疗有效量的至少一种本发明化合物。
• HEPATITIS B ANTIVIRAL AGENTS
  申请人：Novira Therapeutics Inc.

  公开号：EP3312160B1

  公开（公告）日：2020-03-18