6-chloro-2-(chloromethyl)benzo[d]oxazole | 202396-52-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 6-chloro-2-(chloromethyl)benzo[d]oxazole
• 英文别名: 6-Chloro-2-(chloromethyl)-1,3-benzoxazole
• CAS: 202396-52-9
• 化学式: C₈H₅Cl₂NO
• mdl: MFCD09261477
• 分子量: 202.04
• InChiKey: LWFVLQNVCIBMRB-UHFFFAOYSA-N

物化性质

• 沸点：
  277.3±20.0 °C(Predicted)
• 密度：
  1.451±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  6-chloro-2-(chloromethyl)benzo[d]oxazole 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 5.5h， 生成 6-chloro-2-((1E,3E)-4-(pyridine-2-yl)-1,3-butadienyl)benzo[d]oxazole
  参考文献：
  名称：

  Anti-oligomerization sheet molecules: Design, synthesis and evaluation of inhibitory activities against α-synuclein aggregation

  摘要：

  Aggregation of alpha-synuclein (alpha-Syn) play a key role in the development of Parkinson Disease (PD). One of the effective approaches is to stabilize the native, monomeric protein with suitable molecule ligands. We have designed and synthesized a series of sheet-like conjugated compounds which possess different skeletons and various heteroatoms in the two blocks located at both ends of linker, which have good pi-electron delocalization and high ability of hydrogen-bond formation. They have shown anti-aggregation activities in vitro towards alpha-Syn with IC50 down to 1.09 mu M. The molecule is found binding in parallel to the NACore within NAC domain of alpha-Syn, interfering aggregation of NAC region within different alpha-Syn monomer, and further inhibiting or slowing down the formation of alpha-Syn oligomer nuclei at lag phase. The potential inhibitor obtained by our strategy is considered to be highly efficient to inhibit alpha-Syn aggregation.

  DOI：

  10.1016/j.bmc.2019.05.032
• 作为产物：
  描述：

  2-氨基-5-氯苯酚 、 2-氯-1,1,1-三甲氧基乙烷 在 溶剂黄146 作用下， 反应 1.0h， 生成 6-chloro-2-(chloromethyl)benzo[d]oxazole
  参考文献：
  名称：

  [EN] 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS
  [FR] DÉRIVÉS DE 1-AZA-BICYCLO [2.2.2] OCTANE UTILES EN TANT QU'ANTAGONISTES DES RÉCEPTEURS MUSCARINIQUES

  摘要：

  本发明提供了公式(I)的命名化合物、含有它们的药物组合物、制备所述药物组合物的方法以及它们在治疗中的用途。

  公开号：

  WO2009153536A1

文献信息

• Dearomatizing Radical Cyclizations and Cyclization Cascades Triggered by Electron-Transfer Reduction of Amide-Type Carbonyls
  作者：Huan-Ming Huang、David J. Procter

  DOI：10.1021/jacs.6b12077

  日期：2017.2.1

  dearomatizing radical cyclizations and cyclization cascades, triggered by single electron transfer to amide-type carbonyls by SmI2-H2O-LiBr, provide efficient access to unprecedented spirocyclic scaffolds containing up to five stereocenters with high diastereocontrol. The first dearomatizing radical cyclizations involving radicals derived from amide carbonyls by single electron transfer take place under

  由 SmI2-H2O-LiBr 将单电子转移到酰胺型羰基引发的高选择性脱芳基化自由基环化和环化级联反应，为获得前所未有的螺环支架提供了有效的途径，该支架含有多达五个具有高度非对映控制的立体中心。第一次脱芳构化自由基环化涉及通过单电子转移从酰胺羰基衍生的自由基，发生在温和条件下，并与存在于巴比妥酸盐底物中的一系列芳香族和杂芳香族体系结合。根据所采用的条件，自由基环化选择性地提供新的多环半胺或烯胺，它们基于经过医学验证的支架并且可以很容易地进行操作。
• [EN] COMPOUNDS FOR USE AS APPETITE SUPPRESSANT<br/>[FR] COMPOSÉS À UTILISER COMME ANOREXIGÈNE
  申请人：ERACAL THERAPEUTICS LTD

  公开号：WO2022053541A1

  公开（公告）日：2022-03-17

  The present invention relates to new compounds having appetite-suppressing effects and their uses as a drug for treating diseases and disorders, especially metabolite syndrome.

  本发明涉及具有抑制食欲作用的新化合物及其用作治疗疾病和疾病的药物，特别是代谢综合征的用途。
• CXCR2 INHIBITORS
  申请人：HACHTEL Stephanie

  公开号：US20080090854A1

  公开（公告）日：2008-04-17

  The invention relates to compounds of the formula I: in which R1, R2, X, A, B, D and Y1 to Y4 have the meanings indicated in the claims, and/or a pharmaceutically acceptable salt and/or a prodrug thereof. Because of their properties as inhibitors of chemokine receptors, especially as CXCR2 inhibitors, the compounds of the formula I and the pharmaceutically acceptable salts and prodrugs thereof are suitable for the prevention and treatment of chemokine mediated diseases.

  该发明涉及公式I的化合物： 其中R1、R2、X、A、B、D和Y1至Y4具有声明中指示的含义，和/或其药学上可接受的盐和/或前药。由于它们作为趋化因子受体抑制剂的特性，特别是作为CXCR2抑制剂，公式I的化合物及其药学上可接受的盐和前药适用于预防和治疗趋化因子介导的疾病。
• Discovery and optimization of novel fatty acid transport protein 1 (FATP1) inhibitors
  作者：Tetsuyoshi Matsufuji、Mika Ikeda、Asuka Naito、Masakazu Hirouchi、Hideo Takakusa、Shoichi Kanda、Masanori Izumi、Jun Harada、Tsuyoshi Shinozuka

  DOI：10.1016/j.bmcl.2012.05.130

  日期：2012.8

  The discovery, optimization and structure-activity relationship of novel FATP1 inhibitors have been described. The detailed SAR studies of each moiety of the inhibitors combined with metabolite analysis led to the identification of the potent inhibitors 11p and 11q with improved blood stability. (C) 2012 Elsevier Ltd. All rights reserved.
• Benzimidazoles and isosteric compounds as potent and selective factor Xa inhibitors
  作者：Wei He、Barbara Hanney、Michael R Myers、Stephen Condon、Michael R Becker、Alfred P Spada、Christopher Burns、Karen Brown、Dennis Colussi、Valeria Chu

  DOI：10.1016/s0960-894x(02)00056-2

  日期：2002.3

  Benzimidazoles and their isosteric compounds as factor Xa inhibitors are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.