1-(4-nitrophenyl)-2-dimethylamino-3-cyano-4-(2-oxocyclohexyl)-5-methyl-1,4-dihydro-5H-pyrido[3,2-b]indole

• 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: 1-(4-nitrophenyl)-2-dimethylamino-3-cyano-4-(2-oxocyclohexyl)-5-methyl-1,4-dihydro-5H-pyrido[3,2-b]indole
• 英文别名: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)-4-(2-oxocyclohexyl)-4,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile；2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)-4-(2-oxocyclohexyl)-4H-pyrido[3,2-b]indole-3-carbonitrile
• 化学式: C₂₇H₂₇N₅O₃
• mdl: MFCD01241825
• 分子量: 469.543
• InChiKey: KVEPXIHNJAIJLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[(4-硝基苯基)氨基]-1H-吲哚-2-甲醛 在 potassium carbonate 作用下， 以 异丙醇 、 丙酮 为溶剂， 反应 61.25h， 生成 1-(4-nitrophenyl)-2-dimethylamino-3-cyano-4-(2-oxocyclohexyl)-5-methyl-1,4-dihydro-5H-pyrido[3,2-b]indole
  参考文献：
  名称：

  2-formyl-3-arylaminoindoles in the synthesis of 1,2- and 1,4-dihydro-5H-pyrido[3,2-b]indole (δ-carboline) derivatives

  摘要：

  DOI：

  10.1007/bf02219350

文献信息

• [EN] BENZOYLALKYLINDOLEPYRIDINIUM COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS<br/>[FR] COMPOSES BENZOYLALKYLINDOLEPYRIDINIUM ET COMPOSITIONS PHARMACEUTIQUES COMPRENANT CES COMPOSES
  申请人：US GOV HEALTH & HUMAN SERV

  公开号：WO2002059123A2

  公开（公告）日：2002-08-01

  The design, synthesis and antiviral activity of novel benzoylalkylindole-pyridiniums are disclosed. These compounds inhibit the reverse transcriptase enzymes of several retroviruses, including human immunodeficiency virus types 1 and 2, and simian immunodeficiency virus, and effectively inhibit viral replication thereby. Most of these compounds satisfy formula (1) where R1 is independently selected from the group consisting of lower alkyl; N1 is a nitrogen in a ring and is bonded to C1 by either a single bond or a double bond; C1 is a carbon atom in a ring, is bonded to N1 by either a single bond or a double bond, and is bonded to C2 by either a single bond or a double bond; C2 is a carbon atom in a ring and is bonded to C1 by either a single bond or a double bond, and is bonded by either a single bond or a double bond to C3; and R2 is selected from the group consisting of hydrogen, lower alkyl, lower alkyl amide, and formula (2). Compositions comprising effective amounts of such compounds are also described. These compounds and compositions can be used in a method for inhibiting the replication of retroviruses in a subject comprising administering an effective amount of the compound(s) or composition(s) comprising the compound, to a subject to inhibit retroviral replication.
• 2-formyl-3-arylaminoindoles in the synthesis of 1,2- and 1,4-dihydro-5H-pyrido[3,2-b]indole (δ-carboline) derivatives
  作者：S. Yu. Ryabova、L. M. Alekseeva、V. G. Granik

  DOI：10.1007/bf02219350

  日期：1996.9