5-(4-fluorophenyl)-2H-triazole-4-carbaldehyde | 915369-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-fluorophenyl)-2H-triazole-4-carbaldehyde
• CAS: 915369-43-6；1071813-80-3
• 化学式: C₉H₆FN₃O
• 分子量: 191.165
• InChiKey: APQXYGCTWLBAHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one 、 5-(4-fluorophenyl)-2H-triazole-4-carbaldehyde 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 5-[[5-(4-fluorophenyl)-2H-triazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.058
• 作为产物：
  描述：

  3-(4-氟苯基)-2-丙炔醛 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 生成 5-(4-fluorophenyl)-2H-triazole-4-carbaldehyde
  参考文献：
  名称：

  Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.058

文献信息

• [EN] UNSATURATED HETEROCYCLIC INHIBITORS OF NECROPTOSIS<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES INSATURÉS DE LA NÉCROPTOSE
  申请人：HARVARD COLLEGE

  公开号：WO2010075290A1

  公开（公告）日：2010-07-01

  The invention features new small molecule inhibitors of necroptosis. The compounds of the invention are described by Formulas (I) and (II). The invention also features pharmaceutical compositions that include compounds of Formula (I) and (II). The compounds and compositions of the invention are also featured in kits and in methods of treatment of conditions that include neurodegenerative diseases, ischemic brain and heart injuries, and head trauma.

  这项发明涉及新型的坏死凋亡小分子抑制剂。该发明的化合物由化学式(I)和(II)描述。该发明还涉及包括化合物(I)和(II)的药物组合物。该发明的化合物和组合物还出现在试剂盒中，并用于治疗包括神经退行性疾病、缺血性脑部和心脏损伤以及头部创伤在内的疾病的治疗方法中。
• 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same
  申请人：Green Jeffrey Neal

  公开号：US20060264460A1

  公开（公告）日：2006-11-23

  The present invention provides compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m and n are defined as described herein. The invention also provides methods of making the compounds of formula (I), and methods of treating inflammatory diseases, such as rheumatoid arthritis, in a mammal comprising administering a therapeutically effective amount of a compound of formula (I) to the mammal.

  本发明提供了如下式（I）的化合物及其药用可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8、m和n的定义如本文所述。该发明还提供了制备如式（I）化合物的方法，以及治疗炎症性疾病（如类风湿性关节炎）的方法，包括向哺乳动物施用如式（I）化合物的治疗有效量。