1-(3-guanidinylpropane-1-yl)-1,1’-(propane-1,3-diyl)-diguanidine | 1422054-37-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(3-guanidinylpropane-1-yl)-1,1’-(propane-1,3-diyl)-diguanidine
• 英文别名: 1-(3-guanidinylpropane-1-yl)-1,1'-(propane-1,3-diyl)-diguanidine；1,1-Bis[3-(diaminomethylideneamino)propyl]guanidine；1,1-bis[3-(diaminomethylideneamino)propyl]guanidine
• CAS: 1422054-37-2
• 化学式: C₉H₂₃N₉
• 分子量: 257.342
• InChiKey: ZEUQHTXVEFPMSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  182
• 氢给体数：
  6
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  辛酸 、 1-(3-guanidinylpropane-1-yl)-1,1’-(propane-1,3-diyl)-diguanidine 以 乙醇 、 水 为溶剂， 生成 1-(3-guanidinylpropane-1-yl)-1,1'-(propane-1,3-diyl)-diguanidine octanoate
  参考文献：
  名称：

  [EN] METHODS AND COMPOSITIONS COMPRISING GUANIDINES FOR TREATING BIOFILMS
  [FR] MÉTHODES ET COMPOSITIONS COMPRENANT DES GUANIDINES DESTINÉS AU TRAITEMENT DE BIOFILMS

  摘要：

  描述了使用胍类物质治疗或减少生物膜、治疗与生物膜有关的疾病、促使生物膜解体以及预防生物膜形成的方法。

  公开号：

  WO2014078801A1
• 作为产物：
  描述：

  3,3'-二氨基二丙基胺 在 盐酸 、 silver sulfate 作用下， 以 乙醇 、 水 为溶剂， 反应 36.5h， 生成 1-(3-guanidinylpropane-1-yl)-1,1’-(propane-1,3-diyl)-diguanidine
  参考文献：
  名称：

  [EN] METHODS AND COMPOSITIONS COMPRISING GUANIDINES FOR TREATING BIOFILMS
  [FR] MÉTHODES ET COMPOSITIONS COMPRENANT DES GUANIDINES DESTINÉS AU TRAITEMENT DE BIOFILMS

  摘要：

  描述了使用胍类物质治疗或减少生物膜、治疗与生物膜有关的疾病、促使生物膜解体以及预防生物膜形成的方法。

  公开号：

  WO2014078801A1

文献信息

• Artificial transcription factors comprising a sliding domain and uses thereof
  申请人：THE BROAD INSTITUTE, INC.

  公开号：US10816547B2

  公开（公告）日：2020-10-27

  The present invention relates to compositions which may comprise a non-naturally occurring or engineered artificial transcription factor, wherein the transcription factor may comprise a sequence specific DNA binding domain, a sliding domain, and one or more linkers, wherein the DNA binding domain and the sliding domain are operably connected by the one or more linkers, and uses thereof. Methods involving the use of a non-naturally occurring or engineered artificial transcription factors and pharmaceutical compositions, methods for treating cancer, a degenerative disease, a genetic disease or an infectious disease as well as diagnostic methods are also contemplated by the present invention.

  本发明涉及可包含非天然存在的或工程化的人工转录因子的组合物，其中转录因子可包含序列特异性DNA结合结构域、滑动结构域和一个或多个连接体，其中DNA结合结构域和滑动结构域通过一个或多个连接体可操作地连接，以及其用途。本发明还考虑使用非天然存在的或工程化的人工转录因子和药物组合物的方法、治疗癌症、退行性疾病、遗传疾病或传染性疾病的方法以及诊断方法。
• ARTIFICIAL TRANSCRIPTION FACTORS COMPRISING A SLIDING DOMAIN AND USES THEREOF
  申请人：THE BROAD INSTITUTE INC.

  公开号：US20160243251A1

  公开（公告）日：2016-08-25

  The present invention relates to compositions which may comprise a non-naturally occurring or engineered artificial transcription factor, wherein the transcription factor may comprise a sequence specific DNA binding domain, a sliding domain, and one or more linkers, wherein the DNA binding domain and the sliding domain are operably connected by the one or more linkers, and uses thereof. Methods involving the use of a non-naturally occurring or engineered artificial transcription factors and pharmaceutical compositions, methods for treating cancer, a degenerative disease, a genetic disease or an infectious disease as well as diagnostic methods are also contemplated by the present invention.
• [EN] ARTIFICIAL TRANSCRIPTION FACTORS COMPRISING A SLIDING DOMAIN AND USES THEREOF<br/>[FR] FACTEURS DE TRANSCRIPTION ARTIFICIELS COMPORTANT UN DOMAINE COULISSANT ET LEURS UTILISATIONS
  申请人：BROAD INST INC

  公开号：WO2015057671A1

  公开（公告）日：2015-04-23

  The present invention relates to compositions which may comprise a non-naturally occurring or engineered artificial transcription factor, wherein the transcription factor may comprise a sequence specific DNA binding domain, a sliding domain, and one or more linkers, wherein the DNA binding domain and the sliding domain are operably connected by the one or more linkers, and uses thereof. Methods involving the use of a non-naturally occurring or engineered artificial transcription factors and pharmaceutical compositions, methods for treating cancer, a degenerative disease, a genetic disease or an infectious disease as well as diagnostic methods are also contemplated by the present invention.
• [EN] METHODS AND COMPOSITIONS COMPRISING GUANIDINES FOR TREATING BIOFILMS<br/>[FR] MÉTHODES ET COMPOSITIONS COMPRENANT DES GUANIDINES DESTINÉS AU TRAITEMENT DE BIOFILMS
  申请人：HARVARD COLLEGE

  公开号：WO2014078801A1

  公开（公告）日：2014-05-22

  Methods of treating or reducing biofilms, treating a biofilm-related disorder, triggering biofilm disassembly, and preventing biofilm formation using guanidines is described.

  描述了使用胍类物质治疗或减少生物膜、治疗与生物膜有关的疾病、促使生物膜解体以及预防生物膜形成的方法。
• Synthesis and Activity of Biomimetic Biofilm Disruptors
  作者：Thomas Böttcher、Ilana Kolodkin-Gal、Roberto Kolter、Richard Losick、Jon Clardy

  DOI：10.1021/ja3120955

  日期：2013.2.27

  Biofilms are often associated with human bacterial infections, and the natural tolerance of biofilms to antibiotics challenges treatment. Compounds with anti-biofilm activity could become useful adjuncts to antibiotic therapy. We used norspermidine, a natural trigger for biofilm disassembly in the developmental cycle of Bacillus subtilis, to develop guanidine and biguanide compounds with up to 20-fold increased potency in preventing biofilm formation and breaking down existing biofilms. These compounds also were active against pathogenic Staphylococcus aureus. An integrated approach involving structure activity relationships, protonation constants, and crystal structure data on a focused synthetic library revealed that precise spacing of positively charged groups and the total charge at physiological pH distinguish potent biofilm inhibitors.