3-butyl-1,2,4-oxadiazol-5(4H)-one | 150694-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-butyl-1,2,4-oxadiazol-5(4H)-one
• 英文别名: 3-Butyl-4,5-dihydro-5-oxo-1,2,4-oxadiazole；3-butyl-4H-1,2,4-oxadiazol-5-one
• CAS: 150694-23-8
• 化学式: C₆H₁₀N₂O₂
• 分子量: 142.158
• InChiKey: AJNDENVCZRTLHN-UHFFFAOYSA-N

物化性质

• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-butyl-1,2,4-oxadiazol-5(4H)-one 在 sodium hydroxide 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 60.0h， 生成 4'-{[(N-Methoxycarbonylmethoxy-pentanimidoyl)-amino]-methyl}-biphenyl-2-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Weller, Harold N.; Miller, Arthur V.; Dickinson, Kenneth E., Heterocycles, 1993, vol. 36, # 5, p. 1027 - 1038

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲基吡啶 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以49%的产率得到3-butyl-1,2,4-oxadiazol-5(4H)-one
  参考文献：
  名称：

  Biphenyl oxadiazinone angiotensin II inhibitors

  摘要：

  ##STR1## 中展示了对血管紧张素II的抑制，其中：R.sup.1和R.sup.2各自独立为氢、烷基、芳基、芳烷基、环烷基、环烷基烷基、噻吩烷基、吡啶烷基或--R.sup.8 CO.sub.2 R.sup.9；R.sup.3为单一键、--S--或--O--; R.sup.4为氢、烷基、烯基、炔基、芳基、环烷基、芳烷基、环烷基烷基或噻吩烷基；R.sup.7 --(CH.sub.2).sub.n --CO.sub.2 R.sup.9, ##STR2## --NHSO.sub.2 CF.sub.3, --SO.sub.3 H, --C(CF.sub.3).sub.2 OH, ##STR3## --PO.sub.3 H, ##STR4## --CONHOR.sup.12, --CONHNHSO.sub.2 CF.sub.3, --(CH.sub.2).sub.n --5--四唑基（可选择性地被R.sup.9取代），其余符号如说明书所定义。

  公开号：

  US05225408A1

文献信息

• CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS
  申请人：Syntarga B.V.

  公开号：EP2560645B1

  公开（公告）日：2016-07-13
• NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS
  申请人：Beusker Patrick Henry

  公开号：US20130224227A1

  公开（公告）日：2013-08-29

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers
  申请人：SYNTARGA BV

  公开号：US20170274090A1

  公开（公告）日：2017-09-28

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• US5225408A
  申请人：——

  公开号：US5225408A

  公开（公告）日：1993-07-06
• US9629924B2
  申请人：——

  公开号：US9629924B2

  公开（公告）日：2017-04-25