Necrostatin-5; 2-[[3,4,5,6,7,8-六氢-3-(4-甲氧基苯基)-4-氧代[1]苯并噻吩并[2,3-d]嘧啶-2-基]硫代]-乙腈 | 337349-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: Necrostatin-5; 2-[[3,4,5,6,7,8-六氢-3-(4-甲氧基苯基)-4-氧代[1]苯并噻吩并[2,3-d]嘧啶-2-基]硫代]-乙腈
• 中文别名: 2-[[3,4,5,6,7,8-六氢-3-(4-甲氧基苯基)-4-氧代[1]苯并噻吩并[2,3-D]嘧啶-2-基]硫代]-乙腈；2-[[[3-（4-甲氧基苯基）-4-氧代-5,6,7,8-四氢-[1]苯并硫代[2,3-d]嘧啶-2-基]硫烷基]乙腈
• 英文名称: Necrostatin-5
• 英文别名: 3-p-methoxyphenyl-5,6-tetra-methylenothieno-[2,3-d]-pyrimidin-4-one-2-mercaptoethylcyanide；2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile
• CAS: 337349-54-9
• 化学式: C₁₉H₁₇N₃O₂S₂
• 分子量: 383.495
• InChiKey: VGONMECBFMCKBS-UHFFFAOYSA-N

物化性质

• 熔点：
  212-214℃
• 溶解度：
  二甲基亚砜：>10mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-4,5,6,7-四氢苯并噻酚-3-羧酸乙酯 在 盐酸 、 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 Necrostatin-5; 2-[[3,4,5,6,7,8-六氢-3-(4-甲氧基苯基)-4-氧代[1]苯并噻吩并[2,3-d]嘧啶-2-基]硫代]-乙腈
  参考文献：
  名称：

  Structure–activity relationship analysis of a novel necroptosis inhibitor, Necrostatin-5

  摘要：

  Necrostatin-5 (Nec-5) is a novel potent small-molecule inhibitor of necroptosis structurally distinct from previously described Necrostatin-1 (Nec-1), and therefore, represents a new direction for the inhibition of this cellular caspase-independent necrotic cell death mechanism. Here, we describe a series of structural modifications of Nec-5 and the structure-activity relationship (SAR) of Nec-5 series in inhibiting necroptosis.

  DOI：

  10.1016/j.bmcl.2006.11.056

文献信息

• Methods and compositions for restoring homeostatic capacity of a subject
  申请人：Palo Alto Investors

  公开号：US10835134B2

  公开（公告）日：2020-11-17

  Methods of restoring homeostatic capacity of a subject are provided. Aspects of the invention further include compositions, systems and devices for practicing the methods. The methods and compositions described herein find use in a variety of applications. Aspects of certain embodiments of the methods include modulating a subject's autonomic nervous system in a manner sufficient to restore the homeostatic capacity of the subject. Aspects of other embodiments of the invention include administering to the subject an amount of an apoptosis modulator effective to at least partially restore homeostatic function of the neuroendocrine system of the subject.

  本发明提供了恢复受试者体内平衡能力的方法。本发明的各个方面还包括用于实施这些方法的组合物、系统和设备。本文所述的方法和组合物可用于多种应用。本发明方法的某些实施方案包括以足以恢复受试者平衡能力的方式调节受试者的自律神经系统。本发明其他实施方案的方面包括向受试者施用一定量的细胞凋亡调节剂，其有效量至少可部分恢复受试者神经内分泌系统的平衡功能。
• WO2008/45406
  申请人：——

  公开号：——

  公开（公告）日：——
• COMPOUNDS, SCREENS, AND METHODS OF TREATMENT
  申请人：Yuan Junying

  公开号：US20100087453A1

  公开（公告）日：2010-04-08

  The present invention features compounds of Formula (I), pharmaceutical compositions, methods of synthesis, and methods for treating diseases and conditions associated with cellular necrosis. Screening assays for identifying compounds useful for treating these conditions are also described.
• Necroptosis Inhibitors and Methods of Use Therefor
  申请人：Yuan Junying

  公开号：US20140066466A1

  公开（公告）日：2014-03-06

  Described herein are compositions that inhibit the production of TNFα downstream of CD40 activation. As such, also described are various methods of using compositions exhibiting this activity for the treatment or prevention of inflammatory diseases associated with TNFα production or CD40 activation.
• Methods and Compositions for Restoring Homeostatic Capacity of a Subject
  申请人：Palo Alto Investors

  公开号：US20150359888A1

  公开（公告）日：2015-12-17

  Methods of restoring homeostatic capacity of a subject are provided. Aspects of the invention further include compositions, systems and devices for practicing the methods. The methods and compositions described herein find use in a variety of applications.