ethyl (Z)-2-chloro-2-(2-(4-trifluoromethoxyphenyl)hydrazono)acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl (Z)-2-chloro-2-(2-(4-trifluoromethoxyphenyl)hydrazono)acetate
• 英文别名: ethyl (2Z)-chloro{[4-(trifluoromethoxy)phenyl]hydrazono}ethanoate；ethyl (2Z)-2-chloro-2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]acetate
• 化学式: C₁₁H₁₀ClF₃N₂O₃
• 分子量: 310.66
• InChiKey: BUWXIRGFSPWCEH-MFOYZWKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  59.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl (Z)-2-chloro-2-(2-(4-trifluoromethoxyphenyl)hydrazono)acetate 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 2.0h， 生成 {1-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl}methanol
  参考文献：
  名称：

  NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY

  摘要：

  本发明涉及新型硝基咪唑噁啉类化合物，其制备方法，以及它们作为治疗结核分枝杆菌和其他微生物感染的药物的用途，可以单独使用或与其他抗感染治疗联合使用。

  公开号：

  US20120028973A1
• 作为产物：
  描述：

  对三氟甲氧基苯胺 、 2-氯乙酰乙酸乙酯 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以 水 为溶剂， 反应 2.0h， 以80.7%的产率得到ethyl (Z)-2-chloro-2-(2-(4-trifluoromethoxyphenyl)hydrazono)acetate
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel and effective apixaban derivatives as FXa inhibitors containing 1,2,4-triazole/pyrrole derivatives as P2 binding element

  摘要：

  Four series of novel and potent FXa inhibitors possessing the 1,2,4-triazole moiety and pyrrole moiety as P2 binding element and dihydroimidazoleitetrahydropyrimidine groups as P4 binding element were designed, synthesized, and evaluated for their anticoagulant activity in human and rabbit plasma in vitro. Most compounds showed moderate to excellent activity. Compounds 14a, 16, 18c, 26c, 35a, and 35b were further examined for their inhibition activity against human FXa in vitro and rat venous thrombosis in vivo. The most promising compound 14a, with an IC50 (FXa) value of 0.15 mu M and 99% inhibition rate, was identified for further evaluation as an FXa inhibitor. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.09.024

文献信息

• [EN] NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY<br/>[FR] NITROIMIDAZOOXAZINES ET LEURS UTILISATIONS EN THÉRAPIE ANTITUBERCULEUSE
  申请人：GLOBAL ALLIANCE FOR TB DRUG DEV

  公开号：WO2011014774A1

  公开（公告）日：2011-02-03

  The present invention relates to novel nitroimidazooxazines, to their preparation, and to their use as drugs for treating Mycobacterium tuberculosis and other microbial infections, either alone or in combination with other anti-infective treatments.

  本发明涉及新型硝基咪唑噁啉类化合物，其制备方法，以及它们作为治疗结核分枝杆菌和其他微生物感染的药物的用途，可以单独使用或与其他抗感染治疗方法结合使用。
• HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR
  申请人：North China Pharmaceutical Company., Ltd.

  公开号：EP3147283A1

  公开（公告）日：2017-03-29

  Provided is a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein X is selected from a 3-9 membered carbon ring or its phenyl ring, and a 4-10 membered heterocyclic ring or its benzo ring; Y and Z are independently selected from 4-9 membered saturated heterocyclic rings respectively; RI-3 are independently selected from H, F, Cl, Br, I, CN, OH, SH,NH2, CHO, COOH respectively, or selected from C1-10 alkyls or heteroalkyls optionally substituted by R01, C3-10 alkyls ring hydrocarbon groups or heterocyclic hydrocarbon groups, C1-10 alkyls or heteroalkyls substituted by C3-10 ring hydrocarbon groups or heterocyclic hydrocarbon group. The compound can be used as an anticoagulant for treating and preventing thrombotic disorders, and can meet the real needs of selectivity and a potent inhibitor for coagulation Xa.

  提供的是式(I)化合物或其药学上可接受的盐，其中X选自3-9个成员的碳环或其苯基环，以及4-10个成员的杂环或其苯环；Y和Z分别独立地选自4-9个成员的饱和杂环；RI-3 分别独立地选自 H、F、Cl、Br、I、CN、OH、SH、NH2、CHO、COOH，或选自任选被 R01 取代的 C1-10 烷基或杂烷基、C3-10 烷基环烃基团或杂环烃基团、被 C3-10 环烃基团或杂环烃基团取代的 C1-10 烷基或杂烷基。该化合物可用作治疗和预防血栓性疾病的抗凝剂，能满足对凝血 Xa 的选择性和强效抑制剂的实际需要。
• HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR
  申请人：North China Pharmaceutical Company., Ltd.

  公开号：EP3147283B1

  公开（公告）日：2022-08-17
• COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS
  申请人：TAXIS Pharmaceuticals, Inc.

  公开号：US20170305943A1

  公开（公告）日：2017-10-26

  Compounds and methods are provided for treating bacterial infections.
• US9198913B2
  申请人：——

  公开号：US9198913B2

  公开（公告）日：2015-12-01