N-苄基-N-(1-(5-氯-1H-吲哚-3-基)乙基)羟胺 | 1044516-38-2

• 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
• 中文名称: N-苄基-N-(1-(5-氯-1H-吲哚-3-基)乙基)羟胺
• 英文名称: N-benzyl-N-(1-(5-chloro-1H-indol-3-yl)ethyl)hydroxylamine
• 英文别名: N-benzyl-N-[1-(5-chloro-1H-indol-3-yl)ethyl]hydroxylamine
• CAS: 1044516-38-2
• 化学式: C₁₇H₁₇ClN₂O
• 分子量: 300.788
• InChiKey: RCKFKEZJMDLKSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  39.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苄基-N-(1-(5-氯-1H-吲哚-3-基)乙基)羟胺 在 manganese(IV) oxide 作用下， 以 甲苯 为溶剂， 反应 0.08h， 以51%的产率得到(Z)-N-benzylidene-1-(5-chloro-1H-indol-3-yl)ethanamine oxide
  参考文献：
  名称：

  Synthesis and evaluation of 1-(1H-indol-3-yl)ethanamine derivatives as new antibacterial agents

  摘要：

  A collection of 3-substituted indole derivatives was prepared using nucleophilic addition of indoles to nitrones. The compounds were then tested for their antibacterial activity against almost thirty bacterial strains representative of common human pathogens. Two types of indolic molecules inhibit the growth of Staphylococcus aureus, including MRSA and VISA strains, with MIC values ranging from 8 to 16 mg/L. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.060
• 作为产物：
  描述：

  5-氯吲哚 、 N-ethylidenebenzylamine N-oxide 在 甲醇 、 乙酰氯 作用下， 反应 2.0h， 以85%的产率得到N-苄基-N-(1-(5-氯-1H-吲哚-3-基)乙基)羟胺
  参考文献：
  名称：

  Synthesis and evaluation of 1-(1H-indol-3-yl)ethanamine derivatives as new antibacterial agents

  摘要：

  A collection of 3-substituted indole derivatives was prepared using nucleophilic addition of indoles to nitrones. The compounds were then tested for their antibacterial activity against almost thirty bacterial strains representative of common human pathogens. Two types of indolic molecules inhibit the growth of Staphylococcus aureus, including MRSA and VISA strains, with MIC values ranging from 8 to 16 mg/L. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.060

文献信息

• NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS
  申请人：Denis Jean-Noel Marie Leon

  公开号：US20100144726A1

  公开（公告）日：2010-06-10

  The invention relates to the use of at least one compound of the formula (I), in which R and R 3 are particularly a hydrogen atom, R 1 is particularly a hydrogen atom or a methyl, ethyl or isobutyl mi group, R 4 , R 5 , R 6 and R 7 are independently a hydrogen atony, an alkoxyl group with 1 to 7 carbon atoms or a halogen atom, R 2 is a hydrogen atom, an O − group or an OH group, B is an N-GP 1 or NR c , group, GP 1 being a Boc or Cbz group, and R c is a hydrogen atom or a methyl or t-butyl group, for preparing a drug for treating conditions associated with bacterial infections, in particular for treating bacterial diseases.

  该发明涉及使用至少一种具有以下式（I）的化合物，其中R和R3特别是氢原子，R1特别是氢原子或甲基、乙基或异丁基mi基团，R4、R5、R6和R7独立地是氢原子、具有1至7个碳原子的烷氧基团或卤原子，R2是氢原子、O−基团或OH基团，B是N-GP1或NRc基团，GP1是Boc或Cbz基团，Rc是氢原子或甲基或叔丁基基团，用于制备用于治疗与细菌感染相关的疾病症状的药物，特别是用于治疗细菌性疾病。
• NOUVEAUX DERIVES INDOLIQUES, LEURS PROCEDES DE PREPARATION ET LEURS UTILISATIONS NOTAMMENT EN TANT QU'ANTIBACTERIENS
  申请人：Université Joseph Fourier

  公开号：EP2121601B1

  公开（公告）日：2016-06-15
• 新規なインドール誘導体それらの製造方法および特に抗菌剤としてのそれらの使用
  申请人：ユニヴェルシテ ジョセフ フーリエ

  公开号：JP5368317B2

  公开（公告）日：2010-05-27
• US8343964B2
  申请人：——

  公开号：US8343964B2

  公开（公告）日：2013-01-01