Acetonitrile, ((4-(trifluoromethoxy)phenyl)hydrazono)- | 3038-75-3

• 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: Acetonitrile, ((4-(trifluoromethoxy)phenyl)hydrazono)-
• 英文别名: (2E)-2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]acetonitrile
• CAS: 3038-75-3
• 化学式: C₉H₆F₃N₃O
• 分子量: 229.16
• InChiKey: BJSHTIYSMQXEPT-MKMNVTDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  57.4
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Chemical uncouplers for the treatment of obesity
  申请人：——

  公开号：US20040138301A1

  公开（公告）日：2004-07-15

  This invention relates to chemical uncouplers with a broader safety window making the use of them in treating obesity and, consequently, in the treatment of obesity related diseases and conditions such as atherosclerosis, hypertension, diabetes, especially type 2 diabetes (NIDDM (non-insulin dependent diabetes mellitus)), impaired glucose tolerance, dyslipidemia, coronary heart disease, gallbladder disease, osteoarthritis and various types of cancer such as endometrial, breast, prostate and colon cancers and the risk for premature death as well as other conditions, such as diseases and disorders, which conditions are improved by an increase in mitochondrial respiration, more attractive.

  这项发明涉及一种化学解偶联剂，它具有更宽的安全窗口，使其在治疗肥胖症以及因此引发的相关疾病和状况，如动脉硬化、高血压、糖尿病（尤其是2型糖尿病（非胰岛素依赖型糖尿病））、葡萄糖耐量受损、血脂异常、冠心病、胆结石病、骨关节炎以及子宫内膜、乳房、前列腺和结肠等各种癌症以及过早死亡的风险等方面更具吸引力。此外，还包括其他通过增加线粒体呼吸得到改善的条件、疾病和紊乱。
• NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT
  申请人：DONGGUK UNIVERSITY GYEONGJU CAMPUS INDUSTRY-ACADEMY COOPERATION FOUNDATION

  公开号：US20200031764A1

  公开（公告）日：2020-01-30

  The present invention relates to a compound exhibiting inhibitory activity of at least one of malate dehydrogenases I (MDH1) and malate dehydrogenases 2 (MDH2), and a pharmaceutical composition for preventing or treating cancer comprising the same as an active ingredient. The inventors of the present invention have experimentally confirmed that the compound exhibiting the MDH1 and/or MDH2 inhibitory activity has an inhibitory effect on mitochondrial respiration in cancer cells, an excellent inhibitory effect on cancer cell growth, etc. Thus, the compound of the present invention is expected to be effectively used as a pharmaceutical composition for treating cancer.

  本发明涉及一种对苹果酸脱氢酶I（MDH1）和/或苹果酸脱氢酶2（MDH2）至少一种具有抑制活性的化合物，以及包含该化合物作为活性成分的用于预防或治疗癌症的药物组合物。本发明的发明人通过实验证实，表现出MDH1和/或MDH2抑制活性的该化合物对癌细胞线粒体呼吸具有抑制作用，对癌细胞生长具有优异的抑制效果等。因此，本发明的化合物有望被有效地用作治疗癌症的药物组合物。
• [EN] COMPOSITIONS AND METHODS FOR PREPARING AND USING MITOCHONDRIAL UNCOUPLERS<br/>[FR] COMPOSITIONS ET MÉTHODES DE PRÉPARATION ET D'UTILISATION DE DÉCOUPLEURS MITOCHONDRIAUX
  申请人：UNIV VIRGINIA PATENT FOUNDATION

  公开号：WO2018217757A1

  公开（公告）日：2018-11-29

  This disclosure provides compounds of Formula I, II, and III and pharmaceutically acceptable salts thereof for use as mitochondrial uncouplers, where the variables, e.g. R1-R9, (I) (II) (III) X1, X2, and Y1 are defined in the specification. The disclosure also provides pharmaceutical compositions comprising a compound or pharmaceutically acceptable salt of Formula I, II, or III, alone or in combination with another active compound. Compounds and compositions of Formula I, II, and III are useful for treating or preventing certain conditions responsive to mitochondrial uncoupling such as obesity, type II diabetes, fatty liver disease, insulin resistance, Parkinson's disease, ischemia reperfusion injury, heart failure, non-alcoholic fatty liver disease (NALFD), and non-alcoholic steatohepatitis (NASH). Compounds of Formula I, II, and III are also useful for regulating glucose homeostatis and insulin action.

  本公开提供了化合物I、II和III及其药学上可接受的盐，用作线粒体解偶联剂，其中变量，例如R1-R9，（I）（II）（III）X1、X2和Y1在规范中定义。本公开还提供了包含化合物或化学上可接受的盐的药物组合物，单独或与另一种活性化合物结合使用。化合物和组合物I、II和III的公式对于治疗或预防对线粒体解偶联有响应的某些疾病条件是有用的，例如肥胖症、2型糖尿病、脂肪肝病、胰岛素抵抗、帕金森病、缺血再灌注损伤、心力衰竭、非酒精性脂肪肝病（NALFD）和非酒精性脂肪性肝炎（NASH）。化合物I、II和III的公式也对调节葡萄糖稳态和胰岛素作用有用。
• MITOCHONDRIAL COPPER DEPLETION REPROGRAMS THE METABOLISM OF TRIPLE NEGATIVE BREAST CANCER
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20210220482A1

  公开（公告）日：2021-07-22

  Provided is a mitochondrial copper depleting strategy that exploits the potential vulnerability for this metabolic by cancer cells such as Triple Negative Breast Cancer cells. A nanoparticle is provided that comprises a self-reporting copper-depleting moiety (CDM) embedded in or on the matrix comprising a semi-conducting polymer and a phospholipid-polyethylene glycol (PEG). The positively charged copper-depleting complex targets mitochondria and deprives cytochrome c oxidase of its necessary copper co-factor. Inhibition of the electron transport chain complex IV compromises oxygen consumption and abrogates fatty acid oxidation, resulting in energy deficiency induced apoptosis of the targeted cancer cells. The copper-depleting nanoparticle can report the copper depleting status through multimodal optical signal changes while decreasing the copper level in tumors to inhibit tumor growth with low toxicity and significantly prolonged survival.

  提供了一种线粒体铜耗竭策略，利用了像三阴性乳腺癌细胞这样的癌细胞对这种代谢的潜在脆弱性。提供了一种纳米颗粒，其包含嵌入或覆盖在半导体聚合物和磷脂-聚乙二醇（PEG）组成的基质中的自报告铜耗竭基团（CDM）。带正电荷的铜耗竭复合物靶向线粒体，并剥夺细胞色素c氧化酶的必需铜辅因子。抑制电子传递链复合物IV会损害氧气消耗并废除脂肪酸氧化，导致靶向癌细胞的能量缺乏诱导的凋亡。铜耗竭纳米颗粒可以通过多模光学信号变化报告铜耗竭状态，同时降低肿瘤中的铜含量，以抑制肿瘤生长，具有低毒性并显著延长生存期。
• [EN] PYRIMIDINE-DIAMINE DUAL HSP90/TRAP1 INHIBITORS<br/>[FR] INHIBITEURS DOUBLES PYRIMIDINE-DIAMINE DE HSP90/TRAP1
  申请人：CALASIA PHARMACEUTICALS INC

  公开号：WO2016040807A1

  公开（公告）日：2016-03-17

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical composition thereof, which are useful as dual Hsp90/TRAP1 inhibitors. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and their use in treating one or more cancers.

  提供了化合物的新颖结构（I）：其药用盐，以及药物组合物，这些化合物对Hsp90/TRAP1具有双重抑制作用。还提供了包含新颖化合物（I）的药物组合物，以及它们在治疗一种或多种癌症中的应用。