4-(2-chlorophenoxy)butanoic acid | 5057-52-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2-chlorophenoxy)butanoic acid
• 英文别名: 4-(2-chloro-phenoxy)-butyric acid；4-(2-Chlor-phenoxy)-buttersaeure；4-(2-chlorophenoxy)butyric acid；4-(o-Chlorophenoxy)buttersaeure
• CAS: 5057-52-3
• 化学式: C₁₀H₁₁ClO₃
• mdl: MFCD08143635
• 分子量: 214.649
• InChiKey: VWIPYKNRDUDVDQ-UHFFFAOYSA-N

物化性质

• 熔点：
  84 °C
• 沸点：
  184-186 °C(Press: 2 Torr)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-(2-chlorophenoxy)butanoic acid 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以92%的产率得到4-(3-氯苯氧基)-丁酸
  参考文献：
  名称：

  Identification of 5-Substituted 2-Acylaminothiazoles That Activate Tat-Mediated Transcription in HIV-1 Latency Models

  摘要：

  The persistent reservoir of cells latently infected with human immunodeficiency virus (HIV)-integrated proviral DNA necessitates lifelong suppressive antiretroviral therapy (ART). Epigenetic targeted compounds have shown promise as potential latency-reversing agents; however, these drugs have undesirable toxicity and lack specificity for HIV. We utilized a novel HEK293-derived FlpIn dual-reporter cell line, which quantifies specific HIV provirus reactivation (LTR promoter) relative to nonspecific host cell gene expression (CMV promoter), to identify the 5-substituted 2-acylaminothiazole hit class. Here, we describe the optimization of the hit class, defining the functionality necessary for HIV gene activation and for improving in vitro metabolism and solubility. The optimized compounds displayed enhanced HIV gene expression in HEK293 and Jurkat 10.6 latency cellular models and increased unspliced HIV RNA in resting CD4+ T cells isolated from HIV-infected individuals on ART, demonstrating the potential of the 2-acylaminothiazole class as latency-reversing agents.

  DOI：

  10.1021/acs.jmedchem.9b00462
• 作为产物：
  描述：

  4-(2-氯苯氧基)丁酸乙酯 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 4-(2-chlorophenoxy)butanoic acid
  参考文献：
  名称：

  WO2008/27958

  摘要：

  公开号：

文献信息

• Novel thiophene derivatives which are HM74A agonists
  申请人：Dehmlow Henrietta

  公开号：US20070072873A1

  公开（公告）日：2007-03-29

  The invention is concerned with novel substituted thiophene derivatives of formula (I) wherein R 1 to R 8 , X, m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds are HM74A agonists and can be used as medicaments.

  这项发明涉及公式（I）的新型取代噻吩衍生物，其中R1至R8、X、m和n的定义如描述和权利要求中所述，以及其生理上可接受的盐和酯。这些化合物是HM74A激动剂，可用作药物。
• Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis
  作者：Ashley M. Sherp、Soon Goo Lee、Evelyn Schraft、Joseph M. Jez

  DOI：10.1074/jbc.ra118.004975

  日期：2018.11

  corresponding auxinic phenoxyalkanoic acid herbicides 2,4-dichlorophenoxylacetic acid (2,4-D) and 4-(2,4-dichlorophenoxy)butyric acid (2,4-DB). The IBA-specific AtGH3.15 protein displayed high catalytic activity with 2,4-DB, which was comparable to its activity with IBA. Screening of phenoxyalkanoic and phenylalkyl acids indicated that side-chain length of alkanoic and alkyl acids is a key feature of AtGH3.15's

  抗除草剂性状是最广泛使用的农业生物技术产品。然而，为了保持其有效性并减轻对除草剂抗性杂草的选择，发现使用不同化学作用方式的新抗性特征至关重要。在植物中，格雷琴·哈根（Gretchen Hagen）3（GH3）酰基酰胺合成酶催化氨基酸与茉莉酸酯和植物生长素的植物激素结合。尚未研究该反应化学作为除草剂修饰和灭活的可能方法。在这里，我们研究了一组使用生长素吲哚-3-乙酸（IAA）和吲哚-3-丁酸（IBA）作为底物的拟南芥GH3蛋白，以及相应的生长素苯氧基链烷酸除草剂2,4-二氯苯氧基乳酸（ 2,4-D）和4-（2,4-二氯苯氧基）丁酸（2,4-DB）。IBA特有的AtGH3.15蛋白对2,4-DB表现出高催化活性，这与其在IBA中的活性相当。苯氧基链烷酸和苯烷基酸的筛选表明，链烷酸和烷基酸的侧链长度是AtGH3.15底物偏爱的关键特征。AtGH3.15·2,4-DB配合物的X射线晶体结构揭示了除
• COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS
  申请人：Liao Jun

  公开号：US20100015088A1

  公开（公告）日：2010-01-21

  The present invention provides delivery agent compounds, compositions containing delivery agent compounds and an active agent and methods for delivering active agents, such as biologically or chemically active agents.

  本发明提供了传递剂化合物、含有传递剂化合物和活性剂的组合物以及传递活性剂的方法，例如生物活性剂或化学活性剂。
• Thiophene derivatives which are HM74A agonists
  申请人：Hoffmann-La Roche Inc.

  公开号：US07732452B2

  公开（公告）日：2010-06-08

  The invention is concerned with novel substituted thiophene derivatives of formula (I) wherein R1 to R8, X, m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds are HM74A agonists and can be used as medicaments.

  这项发明涉及公式（I）的新型取代噻吩衍生物，其中R1至R8、X、m和n如描述和权利要求中所定义，以及其生理上可接受的盐和酯。这些化合物是HM74A激动剂，可用作药物。
• Compounds and compositions for delivering active agents
  申请人：Liao Jun

  公开号：US08895777B2

  公开（公告）日：2014-11-25

  The present invention provides delivery agent compounds, compositions containing delivery agent compounds and an active agent and methods for delivering active agents, such as biologically or chemically active agents.

  本发明提供了递送剂化合物，包含递送剂化合物和活性剂的组合物以及递送生物或化学活性剂的方法。