methanesulfonic acid 5-bromo-2-chlorobenzyl ester | 1026202-39-0

• 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: methanesulfonic acid 5-bromo-2-chlorobenzyl ester
• 英文别名: 5-bromo-2-chloro-benzyl methanesulfonate；5-Bromo-2-chlorobenzyl methanesulfonate；(5-bromo-2-chlorophenyl)methyl methanesulfonate
• CAS: 1026202-39-0
• 化学式: C₈H₈BrClO₃S
• 分子量: 299.573
• InChiKey: PQSAPINWQVFCSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  423.6±35.0 °C(Predicted)
• 密度：
  1.685±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 5-bromo-2-chlorobenzyl ester 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 54.0h， 生成 N-[2-chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]-N-methylcarbamic acid tert-butyl ester
  参考文献：
  名称：

  [EN] NRF2 REGULATORS
  [FR] RÉGULATEURS DE NRF2

  摘要：

  这项发明涉及芳基类似物式（I），包含它们的药物组合物以及它们作为Nrf2调节剂的用途。

  公开号：

  WO2016203400A1
• 作为产物：
  描述：

  2-氯-5-溴苯甲酸甲酯 在 甲醇 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.5h， 生成 methanesulfonic acid 5-bromo-2-chlorobenzyl ester
  参考文献：
  名称：

  SUBSTITUTED ISOXAZOLINE DERIVATIVES

  摘要：

  这项发明涉及Formula（1）的取代异噁唑啉衍生物或其兽医学上可接受的盐，具有杀虫活性，以及这些衍生物的组合物，并将它们用作动物或鸟类的杀虫剂，其中R1a、R1b、R1c、R2、R3和n如本文所述。

  公开号：

  US20110251247A1

文献信息

• Synthesis of Novel 1,2,3-Triazole Derivatives of Isocoumarins and 3,4-Dihydroisocoumarin with Potential Antiplasmodial Activity In Vitro
  作者：Lucas da Silva Santos、Matheus Fillipe Langanke de Carvalho、Ana Claudia de Souza Pinto、Amanda Luisa da Fonseca、Julio César Dias Lopes、Fernando de Pilla Varotti、Rossimiriam Pereira de Freitas、Rosemeire Brondi Alves

  DOI：10.2174/1573406416666200602161047

  日期：2021.9.10

  the 1,2,3-triazole ring. The products were tested for their antiplasmodial activity against a Plasmodium falciparum chloroquine resistant and sensitive strains (W2 and 3D7, respectively). Results: Thirty-one substances were efficiently obtained by the proposed routes with an overall yield of 25-53%. The active substances in the antiplasmodial test displayed IC50 values ranging from 0.68-2.89 μM and 0

  背景：疟疾严重影响世界健康，仅在 2018 年就造成了超过 2.28 亿病例。耐药性的出现是其治疗中的主要问题之一，表明需要开发新的抗疟药物。 目的：合成和体外抗疟原虫评价源自异香豆素和 3,4-二氢异香豆素的三唑化合物。 方法：通过铜 (I) 催化的异香豆素或 3,4-二氢异香豆素叠氮化物与末端炔烃之间的 1,3-偶极环加成反应，通过 4 到 6 步反应合成三唑环。这一关键反应为化合物提供了前所未有的异香豆素或 3,4-二氢异香豆素与 1,2,3-三唑环的连接。测试了这些产品对恶性疟原虫氯喹抗性和敏感菌株（分别为 W2 和 3D7）的抗疟原虫活性。 结果：通过所提出的路线有效地获得了 31 种物质，总产率为 25-53%。抗疟原虫试验中的活性物质对 W2 和 3D7 菌株的 IC50 值分别为 0.68-2.89 μM 和 0.85-2.07 μM。 结论：这项研究证明了异香豆素或 3,
• HCV NS3 Protease Inhibitors
  申请人：Liverton Nigel J.

  公开号：US20100099695A1

  公开（公告）日：2010-04-22

  The present invention relates to macrocyclic compounds of formula (I) that are useful as inhibitors of the hepatitis C virus (HCV) NS3 protease, their synthesis, and their use for treating or preventing HCV infections.

  本发明涉及公式（I）的大环化合物，其可用作丙型肝炎病毒（HCV）NS3蛋白酶的抑制剂，它们的合成以及它们用于治疗或预防HCV感染的用途。
• WO2008/57209
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moiety
  作者：Luiza B. de O. Freitas、Thiago F. Borgati、Rossimiriam P. de Freitas、Ana L.T.G. Ruiz、Gabriela M. Marchetti、João E. de Carvalho、Elaine F.F. da Cunha、Teodorico C. Ramalho、Rosemeire B. Alves

  DOI：10.1016/j.ejmech.2014.07.061

  日期：2014.9

  Twelve novel 8-hydroxyquinoline derivatives were synthesized with good yields by performing copper-catalyzed Huisgen 1,3-dipolar cycloaddition ("click" reaction) between an 8-O-alkylated-quinoline containing a terminal alkyne and various aromatic or protected sugar azides. These compounds were evaluated in vitro for their antiproliferative activity on various cancer cell types. Protected sugar derivative 16 was the most active compound in the series, exhibiting potent antiproliferative activity and high selectivity toward ovarian cancer cells (OVCAR-03, GI50 < 0.25 μg mL(-1)); this derivative was more active than the reference drug doxorubicin (OVCAR-03, GI50 = 0.43 μg mL(-1)). In structure-activity relationship (SAR) studies, the physico-chemical parameters of the compounds were evaluated and docking calculations were performed for the α-glucosidase active site to predict the possible mechanism of action of this series of compounds.
• Synthesis and Phytotoxic Activity of 1,2,3-Triazole Derivatives
  作者：Thiago F. Borgati、Rosemeire B. Alves、Róbson R. Teixeira、Rossimiriam P. de Freitas、Thays G. Perdigão、Silma F. da Silva、Aline Aparecida dos Santos、Alberto de Jesús O. Bastidas

  DOI：10.5935/0103-5053.20130121

  日期：——

  Thirteen triazole derivatives bearing halogenated benzyl substituents were synthesized using the Cu-catalyzed azide-alkyne cycloaddition (CuAAC), a leading example of the click chemistry approach, as the key step. The biological activity of the compounds was evaluated, and it was found that these compounds interfere with the germination and radicle growth (shoots and roots) of two dicotyledonous species, Lactuca sativa and Cucumis sativus, and one monocotyledonous species, Allium cepa. The compounds showed predominantly inhibitory activity related to the evaluated species mainly at the concentration of 10(-4) mol L-1. Some of them presented inhibitory activity comparable to 2,4-D (2,4-dichlorophenoxyacetic acid), used as positive control.