3-(5-氨基-3-甲基-1H-吡唑-1-基)苯甲酸 | 872407-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(5-氨基-3-甲基-1H-吡唑-1-基)苯甲酸
• 英文名称: 3-(5-Amino-3-Methyl-1H-Pyrazol-1-Yl)Benzoic Acid
• 英文别名: 3-(5-amino-3-methylpyrazol-1-yl)benzoic acid
• CAS: 872407-85-7
• 化学式: C₁₁H₁₁N₃O₂
• mdl: MFCD11656688
• 分子量: 217.227
• InChiKey: WYIPQANVZXIEJJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.36

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  4-methyl-8-(morpholin-4-ylsulfonyl)-furo[3,4-c]quinoline-1,3-dione 、 3-(5-氨基-3-甲基-1H-吡唑-1-基)苯甲酸 在 吡啶 、 乙酸酐 作用下， 反应 3.5h， 生成 3-{3-Methyl-5-[4-methyl-8-(morpholine-4-sulfonyl)-1,3-dioxo-1,3-dihydro-pyrrolo[3,4-c]quinolin-2-yl]-pyrazol-1-yl}-benzoic acid
  参考文献：
  名称：

  Pyrrolo[3,4-c]quinoline-1,3-diones as potent caspase-3 inhibitors. Synthesis and SAR of 2-substituted 4-methyl-8-(morpholine-4-sulfonyl)-pyrrolo[3,4-c]quinoline-1,3-diones

  摘要：

  Synthesis, biological evaluation and structure-activity relationships for a series of 2-substituted 4-methyl-8-(morpholine-4-sulfonyl)-1,3dioxo-2,3-dihydro-1H-pyffolo[3,4-c]quinolines are described. These compounds represent a new chemotype of nonpeptide small molecule inhibitors of caspase-3. Among the studied compounds, several potent inhibitors with IC50 in the range of 3-10 nM have been identified. The most active compound within this series, 7{49} and 7{58}, inhibited caspase-3 with IC50 = 3 nM. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.07.011
• 作为产物：
  描述：

  3-氨基巴豆腈 、 间氨基苯甲酸 在 盐酸 、 sodium nitrite 、 维生素 C 作用下， 以 水 为溶剂， 反应 1.0h， 以45%的产率得到3-(5-氨基-3-甲基-1H-吡唑-1-基)苯甲酸
  参考文献：
  名称：

  One-pot, telescoped synthesis of N-aryl-5-aminopyrazoles from anilines in environmentally benign conditions

  摘要：

  我们开发出了一种高效的合成方法，通过完全在水性条件下进行的一锅伸缩反应，从苯胺合成 N-芳基-5-氨基吡唑。该方法避免了分离有毒的芳基肼中间体和使用金属还原剂，为制备 N-芳基-5-氨基吡唑提供了一种快速、便捷的方法，而 N-芳基-5-氨基吡唑是合成多种双环氮杂环的有用构筑基块。

  DOI：

  10.1039/c3ra47541g

文献信息

• COLORING COMPOSITION, AZO COMPOUND AND INK
  申请人：FUJIFILM CORPORATION

  公开号：US20130284064A1

  公开（公告）日：2013-10-31

  There is provided a coloring composition containing at least a first coloring material and at least a second coloring material, in which the first coloring material is a compound represented by the following Formula (Y), the second coloring material is, for example, the following compound 8, and the mass ratio of the content (% by mass) of the second coloring material in the composition to the content (% by mass) of the first coloring material in the composition is 0.001 to 1.0. In Formula (Y), a plurality of M each independently represent a hydrogen atom or a cation, and when M represents a cation, M represents a Li + ion, a Na + ion, a K + ion or a NH 4 + ion.
• INK COMPOSITION, INKJET RECORDING INK, AND INKJET RECORDING METHOD
  申请人：FUJIFILM Corporation

  公开号：US20150062265A1

  公开（公告）日：2015-03-05

  There is provided an ink composition which at least contains a first color material and a second color material, in which the first color material is a compound represented by Formula (A-I) described in the specification, and the second color material is at least one compound selected from a compound represented by Formula (B-I) described in the specification and a compound represented by Formula (B-V) described in the specification.
• US8623101B2
  申请人：——

  公开号：US8623101B2

  公开（公告）日：2014-01-07
• US8808440B2
  申请人：——

  公开号：US8808440B2

  公开（公告）日：2014-08-19
• US9206326B2
  申请人：——

  公开号：US9206326B2

  公开（公告）日：2015-12-08