3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile | 86691-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile
• 英文别名: 3-[Amino-(7-chloro-1,3-benzoxazol-2-yl)amino]propanenitrile
• CAS: 86691-35-2
• 化学式: C₁₀H₉ClN₄O
• 分子量: 236.661
• InChiKey: UIXPJKSVBJZLDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-氯-2-巯基苯并噁唑 在 胆碱 、 五氯化磷 、 一水合肼 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 苯 为溶剂， 反应 7.75h， 生成 3-[1-(7-chloro-2-benzoxazolyl)hydrazino]propanenitrile
  参考文献：
  名称：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives: inhibitors of immune complex induced inflammation

  摘要：

  3-[1-(2-Benzoxazolyl)hydrazino]propanenitrile derivatives were evaluated in the dermal and pleural reverse passive Arthus reactions in the rat. In the pleural test these compounds were effective in reducing exudate volume and accumulation of white blood cells. This pattern of activity was similar to that of hydrocortisone and different from that of indomethacin. The structural requirements for inhibiting the Arthus reactions were studied by systematic chemical modification of 1. These structure-activity relationship studies revealed that nitrogen 1' of the hydrazino group is essential for activity and must be electron rich, whereas chemical modifications of other sites of 1 had only a modest effect on activity.

  DOI：

  10.1021/jm00117a010

文献信息

• [1-(2-Benzoxazolyl)hydrazino]alkyl nitrile derivatives
  申请人：Abbott Laboratories

  公开号：US04476137A1

  公开（公告）日：1984-10-09

  Described are compounds of the formula ##STR1## wherein R is hydrogen or loweralkyl, X, Y and W independently of one another denote hydrogen, halogen, loweralkyl, nitro, amino, amido, loweralkoxy, hydroxy, nitrile, methylsulfone, methylsulfoxide, methylmercapto, or trifluoromethyl; Z is oxygen, sulfur or --CH.sub.2 ; n and m are each an integer from 0 to 6 inclusive, or pharmaceutically acceptable salts thereof. The compounds are effective as anti-inflammatory agents.

  描述的是公式为##STR1##的化合物，其中R是氢或低碳基，X，Y和W分别独立表示氢，卤素，低碳基，硝基，氨基，酰胺基，低碳氧基，羟基，腈基，甲基磺酰基，甲基亚砜基，甲基硫醇基或三氟甲基; Z是氧，硫或--CH.sub.2; n和m各自是从0到6的整数，包括其中的药学上可接受的盐。这些化合物是有效的抗炎剂。
• HAVIV, F.;RATAJCZYK, J. D.;FISCHER, F. E.
  作者：HAVIV, F.、RATAJCZYK, J. D.、FISCHER, F. E.

  DOI：——

  日期：——
• HAVIV, FORTUNA;RATAJCZYK, JAMES D.;DENET, ROBERT W.;KERDESKY, FRANCIS A.;+, J. MED. CHEM., 31,(1988) N 9, C. 1719-1728
  作者：HAVIV, FORTUNA、RATAJCZYK, JAMES D.、DENET, ROBERT W.、KERDESKY, FRANCIS A.、+

  DOI：——

  日期：——
• (1-(2-BENZOXAZOLYL)HYDRAZINO)ALKYL NITRILE DERIVATIVES
  申请人：ABBOTT LABORATORIES

  公开号：EP0091468A1

  公开（公告）日：1983-10-19
• EP0091468A4
  申请人：——

  公开号：EP0091468A4

  公开（公告）日：1985-07-01