(E)-3-(2,4-difluorophenyl)-2-propenamide

• 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: (E)-3-(2,4-difluorophenyl)-2-propenamide
• 英文别名: (2E)-3-(2,4-Difluorophenyl)prop-2-enamide；(E)-3-(2,4-difluorophenyl)prop-2-enamide
• 化学式: C₉H₇F₂NO
• 分子量: 183.157
• InChiKey: NXKGMKYVIPCNBR-DUXPYHPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  43.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-(2,4-difluorophenyl)-2-propenamide 在 五氯化磷 、 氨 作用下， 以 乙醚 、 甲苯 为溶剂， 生成 (E)-N-(1-Amino-2,2,2-trichloro-ethyl)-3-(2,4-difluoro-phenyl)-acrylamide
  参考文献：
  名称：

  Structure–activity relationship studies of salubrinal lead to its active biotinylated derivative

  摘要：

  The synthesis and structure-activity relationships (SAR) of salubrinal, a small molecule that protects cells from apoptosis induced by endoplasmic reticulum (ER) stress, are described. It is revealed that the trichloromethyl group greatly contributes to the activity. Based on the SAR results, salubrinal was converted into a biotinylated derivative which retains activity and can be used as a biological tool for target identification. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.120

文献信息

• Preventive/therapeutic method for cancer
  申请人：——

  公开号：US20040138160A1

  公开（公告）日：2004-07-15

  This invention provides a prophylactic or therapeutic method for cancer. A prophylactic or therapeutic method for cancer, which is characterized by selectively inhibiting ErbB-2 (HER2) to block information signals of multimers of the epithelial growth factor receptor family.

  这项发明提供了一种预防或治疗癌症的方法。一种预防或治疗癌症的方法，其特征在于选择性地抑制ErbB-2（HER2），以阻断上皮生长因子受体家族的多聚体的信息信号。
• Heterocyclic compounds their production and use
  申请人：——

  公开号：US20020173526A1

  公开（公告）日：2002-11-21

  A compound represented by the formula: 1 wherein m is 1 or 2, R 1 is a halogen or an optionally halogenated C 1-2 alkyl; one of R 2 and R 3 is a hydrogen atom and the other is a group represented by the formula: 2 wherein n is 3 or 4; R 4 is a C 1-4 alkyl group substituted by 1 or 2 hydroxy groups, or a salt thereof shows tyrosine kinase-inhibiting activity.

  一个由以下公式表示的化合物：其中m为1或2，R1为卤素或可选卤代的C1-2烷基；R2和R3中的一个为氢原子，另一个为以下公式表示的基团：其中n为3或4；R4为被1或2个羟基取代的C1-4烷基基团，或其盐，具有酪氨酸激酶抑制活性。
• MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1350792A1

  公开（公告）日：2003-10-08

  Solid dispersions are provided comprising an HER2 inhibitor which is hardly or not soluble in water and a hydrophilic polymer. These solid dispersions have been improved in the solubility of the HER2 inhibitor, oral absorption and bioavailability in blood.

  提供了固体分散体，包括一种在水中几乎不溶解或不溶解的HER2抑制剂和一种亲水性聚合物。这些固体分散体在HER2抑制剂的溶解度、口服吸收和血液生物利用度方面得到了改善。
• MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1350793A1

  公开（公告）日：2003-10-08

  An HER2 inhibitor having an average particle size of about 3 µm or less or a composition containing the same which has improved HER2 inhibitor-absorbability.

  具有平均粒径约为3微米或更小的HER2抑制剂或含有该抑制剂的组合物，其具有改善HER2抑制剂吸收性的特性。
• Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof
  申请人：——

  公开号：US20040242659A1

  公开（公告）日：2004-12-02

  This invention provides a heterocyclic compound having potent tyrosine kinase-inhibiting activity represented by the formula: 1 wherein m is an integer of 1 to 3; n is an integer of 1 or 2; R 1 is a halogen atom or an optionally halogenated C 1-2 alkyl group; each of R 2 and R 3 is, same or different, a hydrogen atom, a halogen atom, a lower alkyl group or a lower alkoxy group; R 4 is a group represented by the formula: 2 wherein p is an integer of 2 to 5; R 5 is a C 1-4 alkyl group substituted by alkoxycarbonyl group, carbamoyl group, carbamoyloxy group, alkylsulfonyl group, alkylsulfinyl group, sulfamoyl group, carbamoylamino group, alkylsulfonylamino group, acylamino group, and the like; or a salt thereof and a pharmaceutical composition comprising thereof.

  本发明提供了一种具有强大的酪氨酸激酶抑制活性的杂环化合物，其表示为公式1：其中，m为1至3的整数；n为1或2的整数；R1为卤素原子或可选卤代的C1-2烷基；R2和R3中的每一个，相同或不同，为氢原子、卤素原子、低烷基或低烷氧基；R4为公式2所表示的基团：其中p为2至5的整数；R5为被取代的C1-4烷基，取代基为烷氧羰基基团、氨基甲酰基团、氨基甲氧基基团、烷基磺酰基团、烷基亚磺酰基团、磺酰胺基团、氨基甲酰氨基团、烷基磺酰氨基团、酰胺基等；或其盐和含有其的制药组合物。