6-巯基环己-1-烯-1-羧酸乙酯 | 1028450-05-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 6-巯基环己-1-烯-1-羧酸乙酯
• 英文名称: ethyl 6-mercaptocyclohex-1-ene-1-carboxylate
• 英文别名: ethyl 6-sulfanylcyclohex-1-ene-1-carboxylate；ethyl 6-sulfanylcyclohexa-1-ene-1-carboxylate；Ethyl 6-sulfanylcyclohexene-1-carboxylate；ethyl 6-sulfanylcyclohexene-1-carboxylate
• CAS: 1028450-05-6
• 化学式: C₉H₁₄O₂S
• 分子量: 186.275
• InChiKey: TVRPRAARLSDDLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  263.2±40.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-巯基环己-1-烯-1-羧酸乙酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 间氯过氧苯甲酸 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 17.0h， 生成 ethyl 6-[1-(2,5-dichlorothiophen-3-yl)ethanesulfonyl]cyclohex-1-ene-1-carboxylate
  参考文献：
  名称：

  複素環化合物

  摘要：

  【问题】提供一种能够有效抑制微胶质细胞产生炎症介质的新型化合物或其盐，对预防和治疗神经退行性疾病，包括阿尔茨海默病等方面具有有用性。【解决方法】化合物或其盐，如式（I）所示。JPEG 2022151801000036.jpg 45 170（Het：单环/双环芳香族复杂环。Z：H、C1-6烷基或与Het结合形成环Q。X、Y：H、OH、卤素等或与相邻的C结合形成环W。R：C1-6烷基、C3-10环烷基等。）【选择图】无

  公开号：

  JP2022151801A
• 作为产物：
  描述：

  6-hydroxy-cyclohex-1-enecarboxylic acid ethyl ester 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 6-巯基环己-1-烯-1-羧酸乙酯
  参考文献：
  名称：

  CYCLIC COMPOUNDS

  摘要：

  本发明提供了具有Toll样受体4（TLR4）信号抑制作用的化合物，可用作预防和治疗炎症性疾病和/或中枢神经系统疾病或诸如化疗诱导的外周神经病变（CIPN）、化疗诱导的神经病性疼痛（CINP）、肝损伤、缺血再灌注损伤（IRI）等疾病的药物。本发明涉及一种由式（I）所表示的化合物及其盐：（其中，每个符号在说明书中有更详细的解释）。

  公开号：

  US20160326102A1

文献信息

• Novel cyclohexene derivatives as anti-sepsis agents: Synthetic studies and inhibition of NO and cytokine production
  作者：Masami Yamada、Takashi Ichikawa、Masayuki Ii、Katsumi Itoh、Norikazu Tamura、Tomoyuki Kitazaki

  DOI：10.1016/j.bmc.2008.01.030

  日期：2008.4.1

  of cyclohexene derivatives were synthesized and evaluated for their biological activities. Through modification of the sulfonamide spacer moiety depicted by formula II, it was found that the benzylsulfone derivative 10a had potent inhibitory activity against the production of NO. Further modifications of the phenyl ring, ester moiety, and benzyl position of benzylsulfone derivatives III were carried

  为了开发防腐剂，合成了一系列环己烯衍生物并对其生物学活性进行了评估。通过对式II所示的磺酰胺间隔基部分进行修饰，发现苄基砜衍生物10a对NO的产生具有有效的抑制活性。对苄基砜衍生物III的苯环，酯部分和苄基位置进行了进一步的修饰。在这些化合物中，（R）-（+）-10a和（6R，1S）-（+）-22a不仅显示出对NO生成的强大抑制活性，而且还对诸如肿瘤坏死因子-α（TNF-α）等炎性细胞因子具有强大的抑制活性。 α）和白介素6（IL-6）在体外。此外，（R）-（+）-10a和（6R，1S）-（+）-22a以剂量依赖性方式保护小鼠免受LPS诱导的致死性。
• CYCLIC COMPOUNDS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20160326102A1

  公开（公告）日：2016-11-10

  The present invention provides compounds having a Toll-like receptor 4 (TLR4) signaling inhibitory action useful as preventive and therapeutic drugs of inflammatory disease and/or central nervous system disease or diseases such as chemotherapy-induced peripheral neuropathy (CIPN), chemotherapy-induced neuropathic pain (CINP), liver injury, ischemia-reperfusion injury (IRI) and the like. The present invention relates to a compound represented by formula (I) and a salt thereof: (wherein, each symbol is explained in greater detail in the specification).

  本发明提供了具有Toll样受体4（TLR4）信号抑制作用的化合物，可用作预防和治疗炎症性疾病和/或中枢神经系统疾病或诸如化疗诱导的外周神经病变（CIPN）、化疗诱导的神经病性疼痛（CINP）、肝损伤、缺血再灌注损伤（IRI）等疾病的药物。本发明涉及一种由式（I）所表示的化合物及其盐：（其中，每个符号在说明书中有更详细的解释）。
• Pharmaceutical Product
  申请人：Iizawa Yuji

  公开号：US20090062355A1

  公开（公告）日：2009-03-05

  An agent for suppressing the production of various cytokines (IL-8 and the like) and inflammatory mediators, an agent for suppressing the expression of COX-II and the like, or an inhibitor of various phosphorylation enzymes (ATF2 and the like), which contains a TLR signaling inhibitory substance, preferably a compound represented by the formula (I) or the formula (II) wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof.
• Pharmaceutical Agent
  申请人：Ii Masayuki

  公开号：US20090105314A1

  公开（公告）日：2009-04-23

  The present invention provides an agent for the prophylaxis or treatment of complications after coronary-artery bypass surgery or cardiac diseases, autoimmune diseases, central nervous system diseases, inflammatory diseases, sepsis, severe sepsis or septic shock in a patient who undergoes coronary-artery bypass surgery, which comprises a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a compound represented by the formula (II): wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof, and an agent for the prophylaxis or treatment of sepsis and the like, as well as complications after coronary-artery bypass surgery, which is prepared for administration of ethyl (6R)-6-[(2-chloro-4-fluoroanilino)sulfonyl]-1-cyclohexene-1-carboxylate or a salt thereof or a prodrug thereof in a specific dose at a specific administration time.
• PHARMACEUTICAL PRODUCT
  申请人：IIZAWA Yuji

  公开号：US20120077856A1

  公开（公告）日：2012-03-29

  An agent for suppressing the production of various cytokines (IL-8 and the like) and inflammatory mediators, an agent for suppressing the expression of COX-II and the like, or an inhibitor of various phosphorylation enzymes (ATF2 and the like), which contains a TLR signaling inhibitory substance, preferably a compound represented by the formula (I) or the formula (II) wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof.