5-氨基-3-(2-羟基乙氧基)-1,2-恶唑-4-甲腈 | 99420-70-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-氨基-3-(2-羟基乙氧基)-1,2-恶唑-4-甲腈
• 英文名称: 5-amino-3-(2-hydroxy-ethoxy)-isoxazole-4-carbonitrile
• 英文别名: 5-Amino-3-(2-hydroxy-aethoxy)-isoxazol-4-carbonitril；5-Amino-3-(2-hydroxyethoxy)isoxazole-4-carbonitrile；5-amino-3-(2-hydroxyethoxy)-1,2-oxazole-4-carbonitrile
• CAS: 99420-70-9
• 化学式: C₆H₇N₃O₃
• 分子量: 169.14
• InChiKey: JYCPJBXPPGTKNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  二氰苯乙烯酮乙烯缩醛 在 盐酸 、 sodium hydroxide 、 羟胺 作用下， 生成 5-氨基-3-(2-羟基乙氧基)-1,2-恶唑-4-甲腈
  参考文献：
  名称：

  Cyanocarbon Chemistry. VIII.¹ Heterocyclic Compounds from Tetracyanoethylene

  摘要：

  DOI：

  10.1021/ja01544a058

文献信息

• Metalloprotease inhibitors containing a squaramide moiety
  申请人：Gege Christian

  公开号：US20080221128A1

  公开（公告）日：2008-09-11

  The present invention relates generally to pharmaceutical agents containing a heterocyclic moiety, and in particular, to heterocyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of heterocyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds with a squaramide or benzoxazinone moiety, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
• Metalloprotease inhibitors containing a heterocyclic moiety
  申请人：Gege Christian

  公开号：US20080221095A1

  公开（公告）日：2008-09-11

  The present invention relates generally to pharmaceutical agents containing a heterocyclic moiety, and in particular, to heterocyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of heterocyclic MMP-3, MMP-8 and/or MMP-13 inhibiting compounds with a squaramide or benzoxazinone moiety, that exhibit an increased potency and selectivity in relation to currently known MMP-13, MMP-8 and MMP-3 inhibitors.
• Cyanocarbon Chemistry. VIII.¹ Heterocyclic Compounds from Tetracyanoethylene
  作者：W. J. Middleton、V. A. Engelhardt、B. S. Fisher

  DOI：10.1021/ja01544a058

  日期：1958.6