9-(4-fluorobenzyl)-N-hydroxy-9H-ß-carboline-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-(4-fluorobenzyl)-N-hydroxy-9H-ß-carboline-3-carboxamide
• 英文别名: 9-(4-fluorobenzyl)-N-hydroxy-9H-β-carboline-3-carboxamide；9-(4-Fluorobenzyl)-N-Hydroxy-9h-Beta-Carboline-3-Carboxamide；9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
• 化学式: C₁₉H₁₄FN₃O₂
• 分子量: 335.337
• InChiKey: ADHFMENDOUEJRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 9-(4-fluorobenzyl)-β-carboline-3-carboxylate 在 羟胺 作用下， 以 甲醇 、 水 为溶剂， 反应 120.0h， 生成 9-(4-fluorobenzyl)-N-hydroxy-9H-ß-carboline-3-carboxamide
  参考文献：
  名称：

  HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use

  摘要：

  由公式（I）表示的β-咔啉羟肟酸化合物被描述。这些β-咔啉羟肟酸化合物和含有这些化合物的组合物可用于抑制或调节HIV整合酶酶的活性，并用于治疗HIV整合酶介导的疾病和症状。

  公开号：

  US20050165040A1

文献信息

• [EN] HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE<br/>[FR] INHIBITEURS DE VIH-INTEGRASE, COMPOSITIONS PHARMACEUTIQUES ET METHODES D'UTILISATION DESDITS INHIBITEURS
  申请人：PFIZER

  公开号：WO2004067531A1

  公开（公告）日：2004-08-12

  Beta-carboline hydroxamic acid compounds represented by formula (I) and formula (lb) are described, wherein: R1, R2, R3, R4, R5, and R6 are independently selected from hydrogen, halogen, C1_C6 alkyl, aikoxy C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, -ORc, -NO2, and -N(Rc)2, each Rc is Independently selected from hydrogen, C1-C6 alkyl, C2-C6 alkenyl, and C2-Ca alkynyl; R7 Is C1-C6 alkyl, C2-C6 alkenyl, or C2-C6 alkynyl, all of which are optionally substituted by one or more substituents independently selected from halogen, C1-C6 alkyl, C2-C6 alkenyl; C2-C6 alkynyl, aryl, cycloalkyl, heterocycioalkyl, and heteroaryl, wherein said aryl, cydoalkyi, and heterocycloalkyl are optionally substituted with one or more substituents independently selected from halogen, C1-C6 alkyl, C2-C6 alkenyl, and C2-C6 alkynyl; R8 and R9 are independently selected from hydrogen, C1-C6 alkyl, C2-C6 alkenyl, and C2-C6 aikynyl, wherein said alkyl, alkenyl, and alkynyl are optionally substituted with one or more substituents independently selected from halogen, aryl, cycloalkyl, heterocycloalkyl, and heteroaryl group, wherein said aryl, cycloalkyl, and heterocycloalkyl are optionally substituted with one or more substituents independently selected from halogen, C1-C6 alkyl, C2-C6 alkenyl, and C2-C6 alkynyl. The beta-carboline hydroxamic acid compounds and compositions containing those compounds may be used to inhibit or modulate the activity of HIV integrase enzyme and to treat HIV integrase-mediated diseases and conditions.

  描述了由式（I）和式（lb）表示的β-咔啉羟肟酸化合物，其中：R1、R2、R3、R4、R5和R6分别独立地选自氢、卤素、C1-C6烷基、氧基C1-C6烷基、C2-C6烯基、C2-C6炔基、-ORc、-NO2和-N(Rc)2，每个Rc独立地选自氢、C1-C6烷基、C2-C6烯基和C2-Ca炔基；R7为C1-C6烷基、C2-C6烯基或C2-C6炔基，这些基都可以选择性地被一个或多个取代基取代，这些取代基独立地选自卤素、C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基、环烷基、杂环烷基和杂芳基，其中所述芳基、环烷基和杂环烷基可以选择性地被一个或多个取代基取代，这些取代基独立地选自卤素、C1-C6烷基、C2-C6烯基和C2-C6炔基；R8和R9独立地选自氢、C1-C6烷基、C2-C6烯基和C2-C6炔基，其中所述烷基、烯基和炔基可以选择性地被一个或多个取代基取代，这些取代基独立地选自卤素、芳基、环烷基、杂环烷基和杂芳基，其中所述芳基、环烷基和杂环烷基可以选择性地被一个或多个取代基取代，这些取代基独立地选自卤素、C1-C6烷基、C2-C6烯基和C2-C6炔基。这些β-咔啉羟肟酸化合物和含有这些化合物的组合物可用于抑制或调节HIV整合酶的活性，并用于治疗HIV整合酶介导的疾病和症状。
• HIV integrase inhibitors, pharmaceutical compositions and methods for their use
  申请人：Kuki Atsuo

  公开号：US20060122211A1

  公开（公告）日：2006-06-08

  Beta-carboline hydroxamic acid compounds represented by formula (I) are described. The beta-carboline hydroxamic acid compounds and compositions containing those compounds may be used to inhibit or modulate the activity of HIV integrase enzyme and to treat HIV integrase-mediated diseases and conditions.

  本文描述了由公式（I）表示的β-咔啉羟肟酸化合物。这些β-咔啉羟肟酸化合物及含有这些化合物的组合物可用于抑制或调节HIV整合酶酶活性，并用于治疗HIV整合酶介导的疾病和病况。
• US7001912B2
  申请人：——

  公开号：US7001912B2

  公开（公告）日：2006-02-21
• US7138408B2
  申请人：——

  公开号：US7138408B2

  公开（公告）日：2006-11-21
• HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use
  申请人：Kuki Atsuo

  公开号：US20050165040A1

  公开（公告）日：2005-07-28

  Beta-carboline hydroxamic acid compounds represented by formula (I) are described. The beta-carboline hydroxamic acid compounds and compositions containing those compounds may be used to inhibit or modulate the activity of HIV integrase enzyme and to treat HIV integrase-mediated diseases and conditions.

  由公式（I）表示的β-咔啉羟肟酸化合物被描述。这些β-咔啉羟肟酸化合物和含有这些化合物的组合物可用于抑制或调节HIV整合酶酶的活性，并用于治疗HIV整合酶介导的疾病和症状。