1-(Bromomethyl)-4-[4-(trifluoromethoxy)phenyl]benzene | 1160430-90-9

• 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: 1-(Bromomethyl)-4-[4-(trifluoromethoxy)phenyl]benzene
• CAS: 1160430-90-9
• 化学式: C₁₄H₁₀BrF₃O
• 分子量: 331.132
• InChiKey: MJVVORBEPHBDAB-UHFFFAOYSA-N

物化性质

• 沸点：
  335.8±42.0 °C(Predicted)
• 密度：
  1.474±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(Bromomethyl)-4-[4-(trifluoromethoxy)phenyl]benzene 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-a]benzimidazole derivatives against Leishmania donovani and Trypanosoma cruzi

  摘要：

  A high-throughput (HTS) and high-content screening (HCS) campaign of a commercial library identified 2,3-dihydroimidazo[1,2-a]benzimidazole analogues as a novel class of anti-parasitic agents. A series of synthetic derivatives were evaluated for their in vitro anti-leishmanial and anti-trypanosomal activities against Leishmania donovani and Trypanosoma cruzi, which have been known as the causative parasites for visceral leishmaniasis and Chagas disease, respectively. In the case of Leishmania, the compounds were tested in both intracellular amastigote and extracellular promastigote assays. Compounds 4 and 24 showed promising anti-leishmanial activity against intracellular L. donovani (3.05 and 5.29 μM, respectively) and anti-trypanosomal activity against T. cruzi (1.10 and 2.10 μM, respectively) without serious cytotoxicity toward THP-1 and U2OS cell lines.

  DOI：

  10.1016/j.ejmech.2014.07.038

文献信息

• NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY
  申请人：Denny William Alexander

  公开号：US20120028973A1

  公开（公告）日：2012-02-02

  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联合使用。
• Discovery of pyrazole carboxylic acids as potent inhibitors of rat long chain l-2-hydroxy acid oxidase
  作者：Dinesh A. Barawkar、Anish Bandyopadhyay、Anil Deshpande、Summon Koul、Sachin Kandalkar、Pradeep Patil、Goraksha Khose、Samir Vyas、Mahesh Mone、Shubhangi Bhosale、Umesh Singh、Siddhartha De、Ashwin Meru、Jayasagar Gundu、Anita Chugh、Venkata P. Palle、Kasim A. Mookhtiar、Joseph P. Vacca、Prasun K. Chakravarty、Ravi P. Nargund、Samuel D. Wright、Sophie Roy、Michael P. Graziano、Doris Cully、Tian-Quan Cai、Sheo B. Singh

  DOI：10.1016/j.bmcl.2012.05.020

  日期：2012.7

  Long chain l-2-hydroxy acid oxidase 2 (Hao2) is a peroxisomal enzyme expressed in the kidney and the liver. Hao2 was identified as a candidate gene for blood pressure (BP) quantitative trait locus (QTL) but the identity of its physiological substrate and its role in vivo remains largely unknown. To define a pharmacological role of this gene product, we report the development of selective inhibitors

  长链l -2-羟基酸氧化酶2（Hao2）是在肾脏和肝脏表达的过氧化物酶体酶。Hao2被确定为血压（BP）定量性状基因座（QTL）的候选基因，但其生理底物的身份及其在体内的作用仍然未知。为了定义该基因产物的药理作用，我们报道了Hao2选择性抑制剂的发展。我们从化合物库的筛选中确定了吡唑羧酸的命中值1和2。这些命中的线索优化导致发现15 - XV和15 - XXXII作为大鼠Hao2的有效和选择性抑制剂。该报告详述了作为Hao2特异性抑制剂的吡唑羧酸的结构活性关系。
• Nitroimidazopyrazinones with Oral Activity against Tuberculosis and Chagas Disease in Mouse Models of Infection
  作者：Chee Wei Ang、Brendon M. Lee、Colin J. Jackson、Yuehong Wang、Scott G. Franzblau、Amanda F. Francisco、John M. Kelly、Paul V. Bernhardt、Lendl Tan、Nicholas P. West、Melissa L. Sykes、Alexandra O. Hinton、Raghu Bolisetti、Vicky M. Avery、Matthew A. Cooper、Mark A.T. Blaskovich

  DOI：10.1021/acs.jmedchem.2c00972

  日期：2022.10.13
• US9198913B2
  申请人：——

  公开号：US9198913B2

  公开（公告）日：2015-12-01