N-(1-{3-[2-(4-Amino-3-chloro-phenoxy)-thiazol-5-yl]-[1,2,4]oxadiazol-5-yl}-ethyl)-acetamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(1-{3-[2-(4-Amino-3-chloro-phenoxy)-thiazol-5-yl]-[1,2,4]oxadiazol-5-yl}-ethyl)-acetamide
• 英文别名: N-(1-{3-[2-(4-amino-3-chlorophenoxy)thiazol-5-yl]-[1,2,4]oxadiazol-5-yl}ethyl)acetamide；N-[1-[3-[2-(4-amino-3-chlorophenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
• 化学式: C₁₅H₁₄ClN₅O₃S
• 分子量: 379.827
• InChiKey: XLDZXAFQGCYUOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(1-{3-[2-(4-Amino-3-chloro-phenoxy)-thiazol-5-yl]-[1,2,4]oxadiazol-5-yl}-ethyl)-acetamide 、 环丙甲醛 在 sodium acetate 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以36%的产率得到N-{1-[3-(2-{3-chloro-4-[(cyclopropylmethyl)amino]phenoxy}-1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
  参考文献：
  名称：

  NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME

  摘要：

  本发明涉及式(I)的化合物，该化合物抑制乙酰辅酶A羧化酶（ACC），对预防或治疗人类的代谢综合征、2型糖尿病、肥胖、动脉粥样硬化和心血管疾病有用。

  公开号：

  US20070225332A1
• 作为产物：
  描述：

  tert-butyl 4-({5-[(Z)-({[2-(acetylamino)propanoyl]oxy}imino)(amino)methyl]-1,3-thiazol-2-yl}oxy)-2-chlorophenylcarbamate 以 吡啶 为溶剂， 反应 3.0h， 以11%的产率得到N-(1-{3-[2-(4-Amino-3-chloro-phenoxy)-thiazol-5-yl]-[1,2,4]oxadiazol-5-yl}-ethyl)-acetamide
  参考文献：
  名称：

  NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME

  摘要：

  本发明涉及式(I)的化合物，该化合物抑制乙酰辅酶A羧化酶（ACC），对预防或治疗人类的代谢综合征、2型糖尿病、肥胖、动脉粥样硬化和心血管疾病有用。

  公开号：

  US20070225332A1

文献信息

• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：The Trustees of Princeton University

  公开号：US20160346309A1

  公开（公告）日：2016-12-01

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.
• US8748627B2
  申请人：——

  公开号：US8748627B2

  公开（公告）日：2014-06-10
• US9029413B2
  申请人：——

  公开号：US9029413B2

  公开（公告）日：2015-05-12
• US9757407B2
  申请人：——

  公开号：US9757407B2

  公开（公告）日：2017-09-12
• NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME
  申请人：Gu Yu Gui

  公开号：US20070225332A1

  公开（公告）日：2007-09-27

  The present invention relates to compounds of formula (I), which inhibit acetyl-CoA carboxylase (ACC) and are useful for the prevention or treatment of metabolic syndrome, type II diabetes, obesity, atherosclerosis and cardiovascular diseases in humans.

  本发明涉及式(I)的化合物，该化合物抑制乙酰辅酶A羧化酶（ACC），对预防或治疗人类的代谢综合征、2型糖尿病、肥胖、动脉粥样硬化和心血管疾病有用。