[(3-Chloro-4-fluorophenyl)methyl](methyl)amine | 381236-43-7

• 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: [(3-Chloro-4-fluorophenyl)methyl](methyl)amine
• 英文别名: 1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
• CAS: 381236-43-7
• 化学式: C₈H₉ClFN
• mdl: MFCD16786981
• 分子量: 173.61
• InChiKey: NNVXSSJIYYSLSI-UHFFFAOYSA-N

物化性质

• 沸点：
  214.5±25.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

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] PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS<br/>[FR] DERIVES DE PYRIMIDINE UTILISES EN TANT QU'ANTAGONISTES DE RECEPTEURS D'OREXINE
  申请人：SANOFI AVENTIS

  公开号：WO2005075458A1

  公开（公告）日：2005-08-18

  The present invention relates to the orexin receptor antagonists of the general formula (I), which are selective to orexin I receptors. (I) -wherein Ar stands for phenyl group or a 5- or 6-membered heterocyclic ring containing 1-3 identical or different heteroatoms or methylenedioxyphenyl group -these groups may optionally be substituted with one or more identical or different C1.4 alkyl group, halogen atom, hydroxyl group, C1-4 alkoxy group, trihalogenomethyl group, NHC1.4 alkyl, -N(CI-4 alkyl)2 or -NHC(=0)-C1-4 alkyl group,

  本发明涉及通式（I）的俄利新受体拮抗剂，这些拮抗剂对俄利新I受体具有选择性。其中，Ar代表苯基或含有1-3个相同或不同杂原子或亚甲二氧基苯基的5-或6元杂环的环，这些基团可以选择性地用一个或多个相同或不同的C1.4烷基基团、卤原子、羟基、C1-4烷氧基、三卤甲基基团、NHC1.4烷基、-N(CI-4烷基)2或-NHC(=0)-C1-4烷基基团取代。
• HIV integrase inhibitors
  申请人：——

  公开号：US20030181490A1

  公开（公告）日：2003-09-25

  The present invention relates to the inhibition of HIV integrase, and to the treatment of AIDS or ARC by administering compounds of the formula 1 wherein R 1 is C 1 -C 4 alkyl, carbocyclic radical, heterocyclic radical, aryl-C 1 -C 2 alkylene, aryloxy-C 1 -C 2 alkylene, alkoxy-CC(O)—, wherein R 1 is optionally substituted from 1-3 times with halo, C 1 -C 2 alkyl or C 1 -C 2 alkoxy, or R 1 is H; R 2 is H or C 1 -C 4 alkyl; R 3 is H, C 1 -C 4 alkyl or phenyl-C 0 -C 2 alkylene which is optionally substituted with 1-3 R 5 ; R 4a is carbocylic radical, heterocyclic radical, aryloxy, aryl-C 1 -C 4 alkylene, aryl-cyclopropylene, aryl-NHC(O)—, wherein R 4a is optionally substituted with 1-3 R 5 ; and wherein each R 5 is independently selected from H, halo, C 1 -C 4 alkyl, C 1 -C 4 alkenyl, C 1 -C 4 haloalkyl, C 1 -C 4 alkoxy, R 6 -phenyl, R 6 -phenoxy, R 6 -benzyl, R 6 -benzyloxy, NH 2 C (O)—, alkyl-NHC(O)—, wherein R 6 is H, halo; Z is a bond or a substituted or unsubstituted C 1 -C 4 alkylene group; and B 2 is 2

  本发明涉及抑制HIV整合酶的化合物，并通过给予式1中的化合物治疗艾滋病或ARC，其中R1为C1-C4烷基，碳环基，杂环基，芳基-C1-C2烷基，芳氧基-C1-C2烷基，烷氧基-CC（O）-，其中R1可以用卤素，C1-C2烷基或C1-C2烷氧基从1-3次取代，或R1为H；R2为H或C1-C4烷基；R3为H，C1-C4烷基或苯基-C0-C2烷基，该苯基-C0-C2烷基可以选择性地用1-3个R5取代；R4a为碳环基，杂环基，芳氧基，芳基-C1-C4烷基，芳基环丙基，芳基-NHC（O）-，其中R4a可以选择性地用1-3个R5取代；每个R5都是独立选择的H，卤素，C1-C4烷基，C1-C4烯基，C1-C4卤代烷基，C1-C4烷氧基，R6-苯基，R6-苯氧基，R6-苄基，R6-苄氧基，NH2C（O）-，烷基-NHC（O）-，其中R6为H，卤素；Z为键或取代或未取代的C1-C4烷基；B2为2。
• 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists
  申请人：——

  公开号：US20040127485A1

  公开（公告）日：2004-07-01

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 3 represents halogen or C 1-4 alkyl; R 4 represents hydrogen, halogen, C 1-4 alkyl or COR 6 ; R 5 represents hydrogen, C 1-4 alkyl or R 5 together within the R 1 represents C 3-7 cycloalkyl; R 6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR 7 or methylene; provided that when X is NR 7 , Y is methylene and when X is methylene, Y is NR 7 ; R 7 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins.

  本发明涉及公式（I）的苯二氮平衍生物，其中R代表氢或C1-4烷基；R1代表氢或C1-4烷基；R2代表三氟甲基，C1-4烷基，C1-4烷氧基，三氟甲氧基或卤素；R3代表卤素或C1-4烷基；R4代表氢，卤素，C1-4烷基或COR6；R5代表氢，C1-4烷基或R5与R1一起代表C3-7环烷基；R6代表羟基，氨基，甲基氨基，二甲基氨基，含有1至3个独立选择的氧，硫和氮杂原子的5元杂环芳基基团或含有1至3个氮原子的6元杂环芳基基团；m或n分别为零或1至3的整数；X和Y分别为NR7或亚甲基；但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7；R7代表氢，C1-4烷基或C3-7环烷基；以及其药学上可接受的盐和溶剂合物；以及它们在治疗由快速激肽调节的疾病中的应用的制备方法。
• Piperazine derivatives as tachykinin antagonists
  申请人：——

  公开号：US20040157858A1

  公开（公告）日：2004-08-12

  The present invention relates to piperazine derivatives of formula (I) wherein R and R 1 represent independently halogen or C 1-4 alkyl; R 2 is hydrogen or C 1-4 alkyl; n and m are independently 1 or 2 and pharmaceutically acceptable salts and solvates thereof, to process for their preparation, to pharmaceutical compositions containing them and to their medical use. 1

  本发明涉及式（I）的哌嗪衍生物，其中R和R1分别代表卤素或C1-4烷基；R2为氢或C1-4烷基；n和m分别独立为1或2，并且其药学上可接受的盐和溶剂化合物，以及制备它们的过程，包含它们的制药组合物和它们的医药用途。
• Tachykinin Antagonists
  申请人：Alvaro Guiseppe

  公开号：US20070135414A1

  公开（公告）日：2007-06-14

  The present invention relates to diazepine derivatives of formula (I) wherein R represents hydrogen or C 1-4 alkyl; R 1 represents hydrogen or C 1-4 alkyl; R 2 represents trifluoromethyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy or halogen; R 3 represents halogen or C 1-4 alkyl; R 4 represents hydrogen, halogen, C 1-4 alkyl or COR 6 ; R 5 represents hydrogen, C 1-4 alkyl or R 5 together within the R 1 represents C 3-7 cycloalkyl; R 6 represents hydroxy, amino, methylamino, dimethylamino, 5 membered heteroaryl group containing 1 to 3 heteroatoms selected independently from oxygen, sulphur and nitrogen or a 6 membered heteroaryl group containing 1 to 3 nitrogen atoms; m or n are independently zero or an integer from 1 to 3; X and Y are independently NR 7 or methylene; provided that when X is NR 7 , Y is methylene and when X is methylene, Y is NR 7 ; R 7 represents hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; and pharmaceutically acceptable salts and solvates thereof; to process for their preparation and their use in the treatment of condition mediated by tachykinins

  本发明涉及式（I）的苯二氮平衍生物，其中：R表示氢或C1-4烷基；R1表示氢或C1-4烷基；R2表示三氟甲基、C1-4烷基、C1-4烷氧基、三氟甲氧基或卤素；R3表示卤素或C1-4烷基；R4表示氢、卤素、C1-4烷基或COR6；R5表示氢、C1-4烷基或R5与R1一起表示C3-7环烷基；R6表示羟基、氨基、甲基氨基、二甲基氨基、含有1-3个杂原子（独立选择自氧、硫和氮）的5元杂环芳基基团或含有1-3个氮原子的6元杂环芳基基团；m或n独立地为零或1-3的整数；X和Y独立地为NR7或亚甲基；但当X为NR7时，Y为亚甲基，当X为亚甲基时，Y为NR7；R7表示氢、C1-4烷基或C3-7环烷基；以及其药学上可接受的盐和溶剂合物；以及制备它们的方法和它们在治疗由速激肽介导的疾病中的应用。