1-苯基三唑-4-甲酰胺 | 2055-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-苯基三唑-4-甲酰胺
• 英文名称: 1-phenyl-1H-1,2,3-triazole-4-carboxamide
• 英文别名: 1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid amide；1-Phenyl-4-carboxamid-1,2,3-triazol；1-phenyltriazole-4-carboxamide
• CAS: 2055-53-0
• 化学式: C₉H₈N₄O
• 分子量: 188.189
• InChiKey: KKMWZYGXSLNVAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 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：
  73.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  苯胺 在 盐酸 、 copper diacetate 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-苯基三唑-4-甲酰胺
  参考文献：
  名称：

  乙酸铜催化区域选择性合成取代的 1,2,3-三唑：一种通用的叠氮化物-烯烃环加成/氧化方法

  摘要：

  已开发出乙酸铜催化苄基和芳基叠氮化物与包含吸电子基团（COOR、CONH2、CN、CHO、COR）的末端和内烯烃的氧化环加成反应。该反应使用空气作为氧化剂，不需要任何碱或添加剂，以良好的收率和高区域选择性提供 1,4-二取代和 1,4,5-三取代的 1,2,3-三唑。

  DOI：

  10.1002/ejoc.201501301

文献信息

• Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer
  申请人：EPIZYME, INC.

  公开号：US10266526B2

  公开（公告）日：2019-04-23

  The present disclosure provides carboxamides and sulfonamides having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein A, Y, B, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供了具有式（I）的羧酰胺类和磺酰胺类化合物：及其药学上可接受的盐和溶剂，其中A、Y、B、X和Z的定义如说明书所述。本公开还涉及使用式（I）化合物治疗对 SMYD 蛋白如 SMYD3 或 SMYD2 的阻断有反应的紊乱。本公开的化合物尤其适用于治疗癌症。
• SMYD Inhibitors
  申请人：EPIZYME, INC.

  公开号：US20170355695A1

  公开（公告）日：2017-12-14

  The present disclosure provides carboxamides and sulfonamides having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein A, Y, B, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.
• SMYD INHIBITORS
  申请人：EPIZYME, INC.

  公开号：US20190322660A1

  公开（公告）日：2019-10-24

  The present disclosure provides carboxamides and sulfonamides having Formula (I): and the pharmacentically acceptable salts and solvates thereof, wherein A, Y, B, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.