叔-丁基N-[(E)-3-氟-4-羟基-丁-2-烯基]氨基甲酸酯 | 404385-38-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 叔-丁基N-[(E)-3-氟-4-羟基-丁-2-烯基]氨基甲酸酯
• 英文名称: (E)-tert-butyl 3-fluoro-4-hydroxybut-2-enylcarbamate
• 英文别名: tert-butyl (E)-(3-fluoro-4-hydroxybut-2-en-1-yl)carbamate；tert-butyl N-[(E)-3-fluoro-4-hydroxybut-2-enyl]carbamate
• CAS: 404385-38-2
• 化学式: C₉H₁₆FNO₃
• 分子量: 205.229
• InChiKey: DVEMVHCJYUKOPX-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(E)-ethyl 4-(tert-butoxycarbonylamino)-2-fluorobut-2-enoate	1158976-82-9	C11H18FNO4	247.267
  ——	ethyl 4-(tert-butoxycarbonylamino)-2-fluorobut-2-enoate	404385-36-0	C11H18FNO4	247.267

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(E)-tert-butyl 3-fluoro-4-phenoxybut-2-enylcarbamate	1158976-83-0	C15H20FNO3	281.327

反应信息

• 作为反应物：
  描述：

  4-羟基苯甲酰胺 、 叔-丁基N-[(E)-3-氟-4-羟基-丁-2-烯基]氨基甲酸酯 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 生成
  参考文献：
  名称：

  The discovery and development of selective 3-fluoro-4-aryloxyallylamine inhibitors of the amine oxidase activity of semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1)

  摘要：

  A new class of 3-fluoroallyl amine-based SSAO/VAP-1 inhibitors is reported. These compounds have excellent selectivity over diamine oxidase, MAO-A and MAO-B. Synthesis and SAR studies leading to compound 28 (PXS-4159A) are reported. The pharmacokinetic profile of 28 in the rat, together with activity in a murine model of lung inflammation are also disclosed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.111
• 作为产物：
  描述：

  (E)-ethyl 4-(tert-butoxycarbonylamino)-2-fluorobut-2-enoate 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以9%的产率得到叔-丁基N-[(E)-3-氟-4-羟基-丁-2-烯基]氨基甲酸酯
  参考文献：
  名称：

  [EN] INHIBITORS OF VAP-1
  [FR] INHIBITEURS DE VAP-1

  摘要：

  公开号：

  WO2020069330A3

文献信息

• Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor
  申请人：McDonald Ian A.

  公开号：US08426587B2

  公开（公告）日：2013-04-23

  The present invention is related to the preparation and pharmaceutical use of novel haloallylamine derivatives as SSAO/VAP-1 inhibitors having the structure of Formula I, as defined in the specification: (I). The invention also relates to methods of using invention compounds, or pharmaceutically acceptable salt or derivatives thereof, for the treatment of a variety of indications, e.g., inflammatory diseases.

  本发明涉及一种新型卤代烯丙胺衍生物的制备和药用，其作为具有公式I结构的SSAO/VAP-1抑制剂，如规范中定义的那样：(I)。本发明还涉及使用本发明化合物或其药学上可接受的盐或衍生物的方法，用于治疗多种适应症，例如炎症性疾病。
• HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR
  申请人：McDonald Ian A.

  公开号：US20100298330A1

  公开（公告）日：2010-11-25

  The present invention is related to the preparation and pharmaceutical In use of novel haloallylamine derivatives as SSAO/VAP-1 inhibitors having the structure of Formula I, as defined in the specification:(I). The invention also relates to methods of using invention compounds, or pharmaceutically acceptable salt or derivatives thereof, for the treatment of a variety of indications, e.g., inflammatory diseases.

  本发明涉及一种具有I式结构的新型卤代烯丙胺衍生物的制备和药物应用，所述衍生物可作为SSAO/VAP-1抑制剂，I式结构如规范中定义。本发明还涉及使用本发明化合物或其药学上可接受的盐或衍生物的方法，用于治疗多种适应症，例如炎症性疾病。
• Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof
  申请人：PHARMAXIS LTD.

  公开号：US10717733B2

  公开（公告）日：2020-07-21

  The present invention relates to novel compounds which are capable of inhibiting certain amine oxidase enzymes. These compounds are useful for treatment of a variety of indications, e.g., fibrosis, cancer and/or angiogenesis in human subjects as well as in pets and livestock. In addition, the present invention relates to pharmaceutical compositions containing these compounds, as well as various uses thereof.

  本发明涉及能够抑制某些胺氧化酶的新型化合物。这些化合物可用于治疗各种适应症，如人类、宠物和家畜的纤维化、癌症和/或血管生成。此外，本发明还涉及含有这些化合物的药物组合物及其各种用途。
• Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof
  申请人：PHARMAXIS LTD.

  公开号：US10717734B2

  公开（公告）日：2020-07-21

  The present invention relates to novel compounds which are capable of inhibiting certain amine oxidase enzymes. These compounds are useful for treatment of a variety of indications, e.g., fibrosis, cancer and/or angiogenesis in human subjects as well as in pets and livestock. In addition, the present invention relates to pharmaceutical compositions containing these compounds, as well as various uses thereof.

  本发明涉及能够抑制某些胺氧化酶的新型化合物。这些化合物可用于治疗各种适应症，如人类、宠物和家畜的纤维化、癌症和/或血管生成。此外，本发明还涉及含有这些化合物的药物组合物及其各种用途。
• WO2020024017A5
  申请人：——

  公开号：WO2020024017A5

  公开（公告）日：2022-08-04