2-(azepan-1-yl)ethane-1-thiol | 22479-97-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 2-(azepan-1-yl)ethane-1-thiol
• 英文别名: 2-(Azepan-1-yl)ethanethiol
• CAS: 22479-97-6
• 化学式: C₈H₁₇NS
• mdl: MFCD02689428
• 分子量: 159.296
• InChiKey: YBGNWNAEGNRKLO-UHFFFAOYSA-N

物化性质

• 沸点：
  82-85 °C(Press: 5 Torr)
• 密度：
  0.9764 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(azepan-1-yl)ethane-1-thiol 、 5,6-dihydro-pyran-2-one 反应 2.0h， 以100%的产率得到4-((2-(azepan-1-yl)ethyl)thio)tetrahydro-2H-pyran-2-one
  参考文献：
  名称：

  Rapid Synthesis of a Lipocationic Polyester Library via Ring-Opening Polymerization of Functional Valerolactones for Efficacious siRNA Delivery

  摘要：

  The ability to control chemical functionality is an exciting feature of modern polymer science that enables precise design of drug delivery systems. Ring-opening polymerization of functional monomers has emerged as a versatile method to prepare clinically translatable degradable polyesters.1 A variety of functional groups have been introduced into lactones; however, the direct polymerization of tertiary amine functionalized cyclic esters has remained elusive. We report a strategy that enabled the rapid synthesis of >130 lipocationic polyesters directly from functional monomers without protecting groups. These polymers are highly effective for siRNA delivery at low doses in vitro and in vivo.

  DOI：

  10.1021/jacs.5b03429
• 作为产物：
  描述：

  环硫乙烷 、 环己亚胺 以 二氯甲烷 为溶剂， 反应 2.0h， 以35%的产率得到2-(azepan-1-yl)ethane-1-thiol
  参考文献：
  名称：

  Rapid Synthesis of a Lipocationic Polyester Library via Ring-Opening Polymerization of Functional Valerolactones for Efficacious siRNA Delivery

  摘要：

  The ability to control chemical functionality is an exciting feature of modern polymer science that enables precise design of drug delivery systems. Ring-opening polymerization of functional monomers has emerged as a versatile method to prepare clinically translatable degradable polyesters.1 A variety of functional groups have been introduced into lactones; however, the direct polymerization of tertiary amine functionalized cyclic esters has remained elusive. We report a strategy that enabled the rapid synthesis of >130 lipocationic polyesters directly from functional monomers without protecting groups. These polymers are highly effective for siRNA delivery at low doses in vitro and in vivo.

  DOI：

  10.1021/jacs.5b03429

文献信息

• [EN] LIPOCATIONIC POLYMERS AND USES THEREOF<br/>[FR] POLYMÈRES LIPOCATIONIQUES ET LEURS UTILISATIONS
  申请人：UNIV TEXAS

  公开号：WO2016094342A1

  公开（公告）日：2016-06-16

  Polymers produced by ring opening polymerization which comprises an amino group that can be used in compositions to deliver a nucleic acid such as a miRNA or a siRNA. In some embodiments, compositions which comprise the polymers described herein and a nucleic acid are also provided herein. In some embodiments, these compositions are used to silence one or more genes in vivo or treat a disease or disorder.

  通过环氧聚合产生的聚合物，其中包含可以用于将核酸如miRNA或siRNA传递到组合物中的氨基团。在某些实施例中，还提供了包括所述聚合物和核酸的组合物。在某些实施例中，这些组合物被用于在体内沉默一个或多个基因或治疗疾病或紊乱。
• [EN] NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AS TYROSINE KINASE INHIBITOR<br/>[FR] DÉRIVÉ DE NOYAU HÉTÉROAROMATIQUE CONTENANT DE L'AZOTE UTILE COMME INHIBITEUR DE LA TYROSINE KINASE
  申请人：KBP BIOSCIENCES CO LTD

  公开号：WO2014040555A1

  公开（公告）日：2014-03-20

  本发明涉及作为酪氨酸激酶抑制剂的通式（I）所示的化合物，这些化合物的制备方法，含有这些化合物的药物组合物，这些化合物在预防和/或治疗个体中B细胞相关的血癌、炎性以及自身免疫性疾病中的应用。其中A，环B、L1、L2、R1、R2、R3、a、b、c、d、e、p和q如说明书中所定义。
• LIPOCATIONIC POLYMERS AND USES THEREOF
  申请人：The Board of Regents of The University of Texas System

  公开号：EP3229842B1

  公开（公告）日：2022-07-06
• US4032530A
  申请人：——

  公开号：US4032530A

  公开（公告）日：1977-06-28
• US4107164A
  申请人：——

  公开号：US4107164A

  公开（公告）日：1978-08-15