N-甲基-4-(1,3-噻唑-2-基)苄胺 | 886851-31-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-甲基-4-(1,3-噻唑-2-基)苄胺
• 英文名称: N-methyl-4-(1,3-thiazol-2-yl)benzylamine
• 英文别名: N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
• CAS: 886851-31-6
• 化学式: C₁₁H₁₂N₂S
• mdl: MFCD09025836
• 分子量: 204.296
• InChiKey: YRTNMSLOSGSGPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(1-benzyl-1H-benzoimidazole-carbonyl)-amino]-acetic acid 、 N-甲基-4-(1,3-噻唑-2-基)苄胺 在 2-氯-1,3-二甲基氯化咪唑啉 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 以96%的产率得到1-benzyl-N-(2-{methyl[4-(1,3-thiazol-2-yl)benzyl]amino}-2-oxoethyl)-1H-benzimidazole-2-carboxamide
  参考文献：
  名称：

  1-Benzylbenzimidazoles: The discovery of a novel series of bradykinin B1 receptor antagonists

  摘要：

  The design, synthesis, and structure-activity studies of a novel series of BK B-1 receptor antagonists based on a 1-benzylbenzimidazole chemotype are described. A number of compounds, for example, 38g, with excellent affinity for the cynomolgus macaque and rat bradykinin B-1 receptor were discovered. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.014

文献信息

• ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS COMPRISING SAME
  申请人：B.G. Negev Technologies and Applications Ltd., at Ben-Gurion University

  公开号：EP3908578A1

  公开（公告）日：2021-11-17
• [EN] ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS COMPRISING SAME<br/>[FR] COMPOSÉS ANTIMICROBIENS ET COMPOSITIONS LES COMPRENANT
  申请人：B G NEGEV TECHNOLOGIES AND APPLICATIONS LTD AT BEN GURION UNIV

  公开号：WO2020144686A1

  公开（公告）日：2020-07-16

  The present invention is directed to antibacterial compositions and methods of use thereof, such as in the treatment of infectious diseases. Additionally, provided herein a method of screening molecules for identifying potential biologically active compounds.
• 1-Benzylbenzimidazoles: The discovery of a novel series of bradykinin B1 receptor antagonists
  作者：Qin Guo、Jayaraman Chandrasekhar、David Ihle、David J. Wustrow、Bertrand L. Chenard、James E. Krause、Alan Hutchison、Dawn Alderman、Charles Cheng、Daniel Cortright、Daniel Broom、Mark T. Kershaw、Jean Simmermacher-Mayer、Yao Peng、Kevin J. Hodgetts

  DOI：10.1016/j.bmcl.2008.08.014

  日期：2008.9

  The design, synthesis, and structure-activity studies of a novel series of BK B-1 receptor antagonists based on a 1-benzylbenzimidazole chemotype are described. A number of compounds, for example, 38g, with excellent affinity for the cynomolgus macaque and rat bradykinin B-1 receptor were discovered. (C) 2008 Elsevier Ltd. All rights reserved.