trans 3-(2-fluoro-3-chlorophenyl)-2-propenoic chloride | 695187-16-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: trans 3-(2-fluoro-3-chlorophenyl)-2-propenoic chloride
• 英文别名: (2e)-3-(3-Chloro-2-fluorophenyl)-2-propenoyl chloride；(E)-3-(3-chloro-2-fluorophenyl)prop-2-enoyl chloride
• CAS: 695187-16-7
• 化学式: C₉H₅Cl₂FO
• 分子量: 219.043
• InChiKey: PBUBLKNOPKXQMW-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 2-(2-(4-amino-3-fluorophenyl)benzo[d]oxazol-5-yl)acetate 、 trans 3-(2-fluoro-3-chlorophenyl)-2-propenoic chloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Furanyl-1,3-thiazol-2-yl and benzoxazol-5-yl acetic acid derivatives: novel classes of heparanase inhibitor

  摘要：

  Using a furanylthiazole acetic acid as a starting point, a novel series of benzoxazol-5-yl acetic acid derivatives have been identified as heparanase inhibitors. Several compounds possess an IC50 of similar to 200 nM against heparanase, for example, trans 2-[4-[3-(3,4-dichlorophenylamino)-3-oxo-1-propenyl]-2-fluorophenyl]benzoxazol-5-yl acetic acid (16e). Several of the compounds show anti-angiogenic properties. Improvement to the DMPK profile of compounds has provided compounds of potential use in in vivo models. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.014

文献信息

• [EN] THIAMINE COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF<br/>[FR] COMPOSÉ THIAMINE, SON PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE ASSOCIÉE<br/>[ZH] 硫胺类化合物、制备方法及其药物组合物
  申请人：SHANGHAI RIXIN BIOTECHNOLOGY CO LTD

  公开号：WO2020108481A1

  公开（公告）日：2020-06-04

  本发明的具体实施方式提供一种硫胺类化合物、制备方法及其药物组合物，所述化合物对Aβ40和/或Aβ42具有抑制作用，特别当与其aa连接的苯乙烯基的苯环未取代、或卤素原子取代时，其化合物对Aβ40和Aβ42均有突出的抑制作用。
• [EN] BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS<br/>[FR] DERIVES D'ACIDES DE BENZOXAZOLE, DE BENZOTHIAZOLE, ET DE BENZIMIDAZOLE PHARMACEUTIQUEMENT ACTIFS
  申请人：OXFORD GLYCOSCIENCES UK LTD

  公开号：WO2004046122A2

  公开（公告）日：2004-06-03

  Compounds of formula (I): wherein R1, R2 and R3 are independently, hydrogen, halogen, CF3, OR6, NR7R8, NR8COR10, NR8SO2R10 or C1-6 alkyl optionally substituted by hydroxy, C1-6 alkoxy or NR7R8; R4 is NR8CONR8R9, NR8COR9, NR8SO2R9, or W-CONR8R9, where W is a bond, C1-6 alkylene, C2-6 alkenylene or C2-6 alkynylene; and R5 is Formula (A) methods for their synthesis, pharmaceutical compositions comprising them and their use in medicine, in particular for the treatment of cancer.