1-(Furan-2-ylmethyl)cyclohexane-1-carboxylic acid | 864801-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 1-(Furan-2-ylmethyl)cyclohexane-1-carboxylic acid
• CAS: 864801-72-9
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: MTWVXVNOSFDSDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(Furan-2-ylmethyl)cyclohexane-1-carboxylic acid 在 二苯基膦叠氮化物 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 2-[(1-Isocyanatocyclohexyl)methyl]furan
  参考文献：
  名称：

  The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir®: A change in direction in the search for a second generation HCV NS3 protease inhibitor

  摘要：

  In the search for a second generation HCV protease inhibitor, molecular modeling studies of the X-ray crystal structure of Boceprevir (R) 1 bound to the NS3 protein suggest that expansion into the S4 pocket could provide additional hydrophobic Van der Waals interactions. Effective replacement of the P4 tertbutyl with a cyclohexylmethyl ligand led to inhibitor 2 with improved enzyme and replicon activities. Subsequent modeling and SAR studies led to the pyridine 38 and sulfone analogues 52 and 53 with vastly improved PK parameters in monkeys, forming a new foundation for further exploration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.063
• 作为产物：
  描述：

  Methyl 1-(furan-2-ylmethyl)cyclohexane-1-carboxylate 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 生成 1-(Furan-2-ylmethyl)cyclohexane-1-carboxylic acid
  参考文献：
  名称：

  The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir®: A change in direction in the search for a second generation HCV NS3 protease inhibitor

  摘要：

  In the search for a second generation HCV protease inhibitor, molecular modeling studies of the X-ray crystal structure of Boceprevir (R) 1 bound to the NS3 protein suggest that expansion into the S4 pocket could provide additional hydrophobic Van der Waals interactions. Effective replacement of the P4 tertbutyl with a cyclohexylmethyl ligand led to inhibitor 2 with improved enzyme and replicon activities. Subsequent modeling and SAR studies led to the pyridine 38 and sulfone analogues 52 and 53 with vastly improved PK parameters in monkeys, forming a new foundation for further exploration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.063

文献信息

• Composition liquide d'étanchéité réticulable à la demande, son procédé de préparation et ses applications
  申请人：HUTCHINSON

  公开号：EP2599817A1

  公开（公告）日：2013-06-05

  La présente invention a pour objet une nouvelle composition liquide d'étanchéité à base de polysulfure capable de réticuler à la demande et son procédé de préparation, ladite composition liquide d'étanchéité comprenant au moins : (i) un polysulfure à groupe terminal -SH, (ii) un agent de réticulation choisi parmi les composés éthyléniquement insaturés ou acétyléniquement insaturés, lesdites fonctions éthyléniques insaturées ou acétyléniques insaturées de l'agent de réticulation étant bloquées chimiquement par un agent bloquant, (iii) éventuellement un catalyseur. La présente invention concerne également un procédé de revêtement d'un substrat avec une composition selon l'invention, ainsi que les matériaux d'étanchéité durcis formés à partir de cette composition. Enfin, l'invention concerne l'utilisation d'une composition liquide d'étanchéité selon l'invention pour la construction et/ou l'entretien, et plus particulièrement pour le collage et/ou la protection de véhicules et de machines.

  本发明涉及一种能按需交联的新型聚硫基液体密封剂组合物及其制备工艺，所述液体密封剂组合物至少包括： (i) 带有-SH 端基的多硫化物、 (ii) 选自乙烯基不饱和或乙炔基不饱和化合物的交联剂，所述交联剂的乙烯基不饱和或乙炔基不饱和功能被封端剂化学封端、 (iii) 可选的催化剂。 本发明还涉及用本发明的组合物涂覆基材的工艺，以及用该组合物形成的固化密封材料。最后，本发明涉及根据本发明的液体密封组合物在建筑和/或维护方面的用途，特别是在粘合和/或保护车辆和机器方面的用途。
• COMPOSITION LIQUIDE D'ÉTANCHÉITÉ RÉTICULABLE À LA DEMANDE, SON PROCÉDÉ DE PRÉPARATION ET SES APPLICATIONS
  申请人：HUTCHINSON

  公开号：EP2599817B1

  公开（公告）日：2016-02-03
• Novel inhibitors of Hepatitis C virus NS3 protease
  申请人：Bogen L. Stephane

  公开号：US20070142301A1

  公开（公告）日：2007-06-21

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.
• Cure-On-Demand Liquid Sealant Composition, Process For The Preparation Thereof And Uses Thereof
  申请人：Hutchinson

  公开号：US20130137817A1

  公开（公告）日：2013-05-30

  The present invention is directed to a liquid sealant composition based on polysulphide, capable of curing on demand, and the process for preparing same, the liquid sealant composition including: (i) a polysulphide comprising an —SH end group, (ii) a crosslinking agent chosen from ethylenically unsaturated or acetylenically unsaturated compounds, the unsaturated ethylenic or unsaturated acetylenic functions of the crosslinking agent being chemically blocked with a blocking agent, and (iii) optionally, a catalyst. The present invention also relates to a process for coating a substrate with a composition according to the invention, and also to the cured sealant materials formed from this composition. Finally, the invention relates to the use of a liquid sealant composition according to the invention for the construction and/or the maintenance, and more particularly for the adhesive bonding and/or the protection, of vehicles and machines.
• US7205330B2
  申请人：——

  公开号：US7205330B2

  公开（公告）日：2007-04-17