5-ethynyl-2-methyloxazole | 2408962-94-5

• 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-ethynyl-2-methyloxazole
• 英文别名: 5-Ethynyl-2-methyl-1,3-oxazole
• CAS: 2408962-94-5
• 化学式: C₆H₅NO
• 分子量: 107.112
• InChiKey: ONLOXRRPHKYLAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-ethynyl-2-methyloxazole 、 (S)-5-bromo-N-(2-hydroxy-3-phenylpropyl)-N-methylnicotinamide 在 双(乙腈)氯化钯(II) 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 乙腈 为溶剂， 以7 %的产率得到(S)-N-(2-hydroxy-3-phenylpropyl)-N-methyl-5-((2-methyloxazol-5-yl)ethynyl)nicotinamide
  参考文献：
  名称：

  [EN] NICOTINAMIDE RIPK1 INHIBITORS
  [FR] INHIBITEURS DE NICOTINAMIDE RIPK1

  摘要：

  Provided herein are compounds of Formula (I) and pharmaceutically acceptable salts thereof, useful as RIPK1 inhibitors, and pharmaceutical compositions comprising same. Further provided are methods of use and preparation. (I)

  公开号：

  WO2023018643A1
• 作为产物：
  描述：

  2-methyl-1,3-oxazole-5-carbaldehyde 、 (1-重氮基-2-氧代丙基)膦酸二甲酯 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以52 %的产率得到5-ethynyl-2-methyloxazole
  参考文献：
  名称：

  [EN] NICOTINAMIDE RIPK1 INHIBITORS
  [FR] INHIBITEURS DE NICOTINAMIDE RIPK1

  摘要：

  Provided herein are compounds of Formula (I) and pharmaceutically acceptable salts thereof, useful as RIPK1 inhibitors, and pharmaceutical compositions comprising same. Further provided are methods of use and preparation. (I)

  公开号：

  WO2023018643A1

文献信息

• OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM
  申请人：Masui Moriyasu

  公开号：US20140051691A1

  公开（公告）日：2014-02-20

  The present invention provides a compound of formula (I): wherein —X═ is —CR 7 ═ or —N═, ring B is a substituted or unsubstituted carbocycle or a substituted or unsubstituted heterocycle, R 1 is substituted or unsubstituted alkyl or the like, R 2 a and R 2 b are each independently hydrogen, substituted or unsubstituted alkyl or the like, R 3 and R 4 are each independently hydrogen, halogen, substituted or unsubstituted alkyl or the like, R 5 is hydrogen, substituted or unsubstituted alkyl or the like, each R 6 is independently halogen, hydroxy, substituted or unsubstituted alkyl or the like, R 7 is hydrogen, halogen, hydroxy, substituted or unsubstituted alkyl or the like, p is an integer of 0 to 3, or a pharmaceutically acceptable salt thereof which has an effect of inhibiting amyloid β production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid β proteins.

  本发明提供了一种化合物的公式(I)：其中—X═是—CR7═或—N═，环B是取代或未取代的碳环或取代或未取代的杂环，R1是取代或未取代的烷基或类似物，R2和R2'分别独立地是氢、取代或未取代的烷基或类似物，R3和R4分别独立地是氢、卤素、取代或未取代的烷基或类似物，R5是氢、取代或未取代的烷基或类似物，每个R6独立地是卤素、羟基、取代或未取代的烷基或类似物，R7是氢、卤素、羟基、取代或未取代的烷基或类似物，p是0到3的整数，或其在药学上可接受的盐，具有抑制淀粉样蛋白β产生的作用，特别是抑制BACE1的作用，并且可用作由淀粉样蛋白β蛋白的产生、分泌和/或沉积引起的疾病的治疗或预防剂。
• [EN] HETARYL SUBSTITUTED MALONONITRILE COMPOUNDS<br/>[FR] COMPOSÉS DE MALONONITRILE À SUBSTITUTION HÉTÉROARYLE
  申请人：BASF SE

  公开号：WO2015158605A1

  公开（公告）日：2015-10-22

  The invention relates to the use of a compound of formula (I) or a salt thereof for combating animal pests, where the symbols and indices are defined in the specification.

  该发明涉及使用式(I)化合物或其盐来对抗动物害虫，其中符号和指数在说明书中定义。
• OXAZINE DERIVATIVE AND BACE 1 INHIBITOR CONTAINING SAME
  申请人：Shionogi & Co., Ltd.

  公开号：EP2703399A1

  公开（公告）日：2014-03-05

  The present invention provides a compound of formula (I): wherein -X= is -CR7= or -N=, ring B is a substituted or unsubstituted carbocycle or a substituted or unsubstituted heterocycle, R1 is substituted or unsubstituted alkyl or the like, R2a and R2b are each independently hydrogen, substituted or unsubstituted alkyl or the like, R3 and R4 are each independently hydrogen, halogen, substituted or unsubstituted alkyl or the like, R5 is hydrogen, substituted or unsubstituted alkyl or the like, each R6 is independently halogen, hydroxy, substituted or unsubstituted alkyl or the like, R7 is hydrogen, halogen, hydroxy, substituted or unsubstituted alkyl or the like, p is an integer of 0 to 3, or a pharmaceutically acceptable salt thereof which has an effect of inhibiting amyloid β production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid β proteins.

  本发明提供了一种式 (I) 的化合物： 其中 -X=是-CR7=或-N=、 环 B 是取代或未取代的碳环或取代或未取代的杂环、 R1 是取代或未取代的烷基或类似物、 R2a 和 R2b 各自独立地是氢、取代或未取代的烷基或类似物、 R3 和 R4 各自独立地为氢、卤素、取代或未取代的烷基或类似物、 R5 是氢、取代或未取代的烷基或类似物、 每个 R6 独立地是卤素、羟基、取代或未取代的烷基或类似物，R7 是氢、卤素、羟基、取代或未取代的烷基或类似物、 p 是 0 至 3 的整数、 或其药学上可接受的盐，该盐具有抑制淀粉样蛋白 β 生成的作用，尤其是抑制 BACE1 的作用，可用作治疗或预防由淀粉样蛋白 β 生成、分泌和/或沉积诱发的疾病的药物。
• US8883779B2
  申请人：——

  公开号：US8883779B2

  公开（公告）日：2014-11-11