2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile
• 英文别名: 2-(2-methyl-1,2,4-triazol-3-yl)acetonitrile
• 化学式: C₅H₆N₄
• 分子量: 122.129
• InChiKey: FFUCQSVQOAAZIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile 在 sodium 、 sodium hydride 作用下， 以 二甲基亚砜 、 mineral oil 、 Petroleum ether 为溶剂， 反应 4.83h， 生成 ethyl 1-(1-methyl-1H-1,2,4-triazol-5-yl)cyclopropanecarbimidate
  参考文献：
  名称：

  [EN] DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS
  [FR] INHIBITEURS DE DIACYLGLYCÉROL ACYLTRANSFÉRASE 2

  摘要：

  这里描述了抑制二酰基甘油酰基转移酶2（DGAT2）活性的嘌呤衍生物，即式I的3H-咪唑并[4,5-b]嘧啶和1H-咪唑并[4,5-d]吡嗪，以及它们在治疗相关动物疾病中的用途。

  公开号：

  WO2013150416A1
• 作为产物：
  描述：

  氰化四丁基铵 、 (1-甲基-1H-1,2,4-噻唑)甲醇 在 氯化亚砜 作用下， 以 乙腈 为溶剂， 反应 4.5h， 以24%的产率得到2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile
  参考文献：
  名称：

  US2014/342906

  摘要：

  公开号：

文献信息

• Tetrazol-5-yl- and triazol-5-yl-aryl compounds and use thereof as herbicides
  申请人：BAYER INTELLECTUAL PROPERTY GMBH

  公开号：US09107414B2

  公开（公告）日：2015-08-18

  Tetrazol-5-yl- and triazol-5-yl-aryl compounds of the general formula (I) as herbicides are described. In this formula (I), X, Z, W and R are radicals such as hydrogen, organic radicals such as alkyl, and other radicals such as halogen. A and B are N and CY. Q is cyanoalkylcarbonyl or isoxazolyl.

  描述了通式（I）的Tetrazol-5-yl-和triazol-5-yl-芳基化合物作为除草剂。在此式（I）中，X，Z，W和R是诸如氢，烷基等有机基团以及卤素等其他基团的基团。A和B是N和CY。Q是氰基烷基羰基或异噁唑基。
• DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS
  申请人：Pfizer Inc.

  公开号：US20150087585A1

  公开（公告）日：2015-03-26

  Derivatives of purine, 3H-imidazo[4,5-b]pyrimidine and 1H-imidazo[4,5-d]pyrazine of Formula I that inhibit the activity of the diacylglycerol acyltransferase 2 (DGAT2) and their uses in the treatment of diseases linked thereto in animals are described herein.

  本文描述了嘌呤的衍生物，Formula I的3H-咪唑并[4,5-b]嘧啶和1H-咪唑并[4,5-d]吡嗪，它们抑制二酰基甘油酰基转移酶2（DGAT2）的活性，并在动物治疗相关疾病中的用途。
• Diacylglycerol acyltransferase 2 inhibitors
  申请人：Pfizer Inc.

  公开号：US09296745B2

  公开（公告）日：2016-03-29

  Derivatives of purine, 3H-imidazo[4,5-b]pyrimidine and 1H-imidazo[4,5-d]pyrazine of Formula I that inhibit the activity of the diacylglycerol acyltransferase 2 (DGAT2) and their uses in the treatment of diseases linked thereto in animals are described herein.

  本文描述了嘌呤、3H-咪唑并[4,5-b]嘧啶和1H-咪唑并[4,5-d]吡嗪的衍生物I公式，其抑制二酰基甘油酰基转移酶2（DGAT2）的活性，并用于治疗与此相关的动物疾病。
• [EN] SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE<br/>[FR] ACTIVATEURS À PETITES MOLÉCULES DE MYCOBACTERIUM TUBERCULOSIS ADÉNYLYL CYCLASE
  申请人：[en]THE SCRIPPS RESEARCH INSTITUTE

  公开号：WO2024030121A1

  公开（公告）日：2024-02-08

  The present application discloses novel compounds, and compositions comprising said compounds, that are effective small-molecule agonists that stimulate overproduction of cytosolic cyclic AMP (cAMP) inMycobacterium tuberculosis(Mtb) which inhibits cholesterol metabolism. These small-molecule agonists demonstrate potentiation of current tuberculosis (TB) therapeutics, exhibiting potential as a promising new class of agents for the treatment of TB. The application further discloses methods of treatment of TB using compositions comprising the disclosed novel compounds in combination therapy with current TB therapeutics.
• [EN] DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS<br/>[FR] INHIBITEURS DE DIACYLGLYCÉROL ACYLTRANSFÉRASE 2
  申请人：PFIZER

  公开号：WO2013150416A1

  公开（公告）日：2013-10-10

  Derivatives of purine, 3H-imidazo[4,5-b]pyrimidine and 1H- imidazo[4,5-d]pyrazine of Formula I that inhibit the activity of the diacylglycerol acyltransferase 2 (DGAT2) and their uses in the treatment of diseases linked thereto in animals are described herein.

  这里描述了抑制二酰基甘油酰基转移酶2（DGAT2）活性的嘌呤衍生物，即式I的3H-咪唑并[4,5-b]嘧啶和1H-咪唑并[4,5-d]吡嗪，以及它们在治疗相关动物疾病中的用途。