4-bromopentanoic acid chloride | 221242-17-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 4-bromopentanoic acid chloride
• 英文别名: 4-bromo-valeryl chloride；4-Brom-valerylchlorid；4-bromovaleroyl chloride；4-bromopentanoyl chloride
• CAS: 221242-17-7
• 化学式: C₅H₈BrClO
• 分子量: 199.475
• InChiKey: DEIKXYLFKAVVDP-UHFFFAOYSA-N

物化性质

• 沸点：
  198.8±23.0 °C(Predicted)
• 密度：
  1.498±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromopentanoic acid chloride 、 高纯二甲基镉 在 乙醚 作用下， 生成 2-Brom-hexanon-(5)
  参考文献：
  名称：

  The Structure of Alkyl-Substituted Pyrrolines¹

  摘要：

  DOI：

  10.1021/ja01155a069
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氯化亚砜 作用下， 生成 4-bromopentanoic acid chloride
  参考文献：
  名称：

  Wohlgemuth, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1914, vol. 158, p. 1577

  摘要：

  DOI：

文献信息

• Benzimidazole compounds and drugs containing the same
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US06815455B1

  公开（公告）日：2004-11-09

  A benzimidazole compound or a salt thereof which has an inhibitory action of foaming of macrophages and is useful as an active ingredient of a medicament for preventive and/or therapeutic treatment of arteriosclerosis, which is represented by the formula (I): wherein R1 represents a hydrogen atom, a halogen atom, a lower alkyl group, or a lower alkoxy group; R2 represents a hydrogen atom, an alkyl group, or an acyl group; R3 represents a functional group on the ring; A represents O or CH2 or CH that forms a double bond with an adjacent carbon atom; L represents a C4-C8 alkylene group or an ethyleneoxy linking group represented by (CH2CH2O)nCH2CH2 wherein n represents 1 or 2; X represents O, S or methylene group; and m represents 0 or 1.

  一种苯并咪唑化合物或其盐，具有抑制巨噬细胞起泡作用的作用，并可用作预防和/或治疗动脉硬化的药物的活性成分，其化学式表示为（I）：其中R1表示氢原子，卤原子，低碳基或低烷氧基；R2表示氢原子，烷基或酰基；R3表示环上的功能基团；A表示O或CH2或CH，它与相邻的碳原子形成双键；L表示C4-C8烷基或由（CH2CH2O）nCH2CH2表示的乙氧基连接基，其中n表示1或2；X表示O，S或亚甲基基团；m表示0或1。
• Structure‐Guided Design of G‐Protein‐Coupled Receptor Polypharmacology
  作者：Stefanie Kampen、Duc Duy Vo、Xiaoqun Zhang、Nicolas Panel、Yunting Yang、Mariama Jaiteh、Pierre Matricon、Per Svenningsson、Jose Brea、Maria Isabel Loza、Jan Kihlberg、Jens Carlsson

  DOI：10.1002/anie.202101478

  日期：2021.8.9

  AbstractMany diseases are polygenic and can only be treated efficiently with drugs that modulate multiple targets. However, rational design of compounds with multi‐target profiles is rarely pursued because it is considered too difficult, in particular if the drug must enter the central nervous system. Here, a structure‐based strategy to identify dual‐target ligands of G‐protein‐coupled receptors is presented. We use this approach to design compounds that both antagonize the A2A adenosine receptor and activate the D2 dopamine receptor, which have excellent potential as antiparkinson drugs. Atomic resolution models of the receptors guided generation of a chemical library with compounds designed to occupy orthosteric and secondary binding pockets in both targets. Structure‐based virtual screens identified ten compounds, of which three had affinity for both targets. One of these scaffolds was optimized to nanomolar dual‐target activity and showed the predicted pharmacodynamic effect in a rat model of Parkinsonism.
• BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME
  申请人：Fuji Photo Film Co., Ltd.

  公开号：EP1197487B1

  公开（公告）日：2004-01-14
• AMINO ACID DERIVATIVES AS PAF-RECEPTOR ANTAGONISTS
  申请人：BRITISH BIO-TECHNOLOGY LIMITED

  公开号：EP0623116A1

  公开（公告）日：1994-11-09
• BENZO(5,6)CYCLOHEPTAPYRIDINE CYCLIC UREAS AND LACTAMS USEFUL AS FARNESYL PROTEIN TRANSFERASE INHIBITORS
  申请人：SCHERING CORPORATION

  公开号：EP0991644B1

  公开（公告）日：2003-04-16