4-(2-甲基苯氧基)丁酸 | 24331-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(2-甲基苯氧基)丁酸
• 英文名称: 4-o-tolyloxy-butyric acid
• 英文别名: 4-o-Tolyloxy-buttersaeure；4-(2-methylphenoxy)butanoic Acid
• CAS: 24331-07-5
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD02333374
• 分子量: 194.23
• InChiKey: VIRHHSGEXXURMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 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-甲基苯氧基)丁酸 以58%的产率得到
  参考文献：
  名称：

  ZEIGER G.; HEILMANN D .; HENNING D.; KEMPTER G., WISS. Z. PAED. HOCH. K. LIEBKNECHT POTSDAM (TEIL 1), 1977, 21, NO 1, 29-4+

  摘要：

  DOI：
• 作为产物：
  描述：

  4-o-tolyloxybutyric acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以96%的产率得到4-(2-甲基苯氧基)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

文献信息

• Novel Indoline Compounds
  申请人：LEBRETON Luc

  公开号：US20080119465A1

  公开（公告）日：2008-05-22

  Sulfonylindoline compounds of formula I, wherein R1 through R4, Y and Z have defined meanings, a process for preparation of such compounds, and the use as pharmaceutically active substances, particularly for the treatment or inhibition of neurodegeneration, cardiovascular disease, inflammatory disease, hypercholesterolemia, dyslipidemia, obesity or diabetes.

  公式I的磺胺基吲哚化合物，其中R1至R4，Y和Z具有定义的含义，一种制备这种化合物的过程，以及用作药用活性物质，特别用于治疗或抑制神经退行性疾病、心血管疾病、炎症性疾病、高胆固醇血症、血脂异常、肥胖或糖尿病。
• HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：OWADA Shingo

  公开号：US20110077290A1

  公开（公告）日：2011-03-31

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR 4 , B is an oxygen atom, a sulfur atom or NR 9 (provided that when A is a nitrogen atom, B is not NH), R 1 is a C 2-14 aryl group, L 1 is a bond, CR 10 R 11 , an oxygen atom, a sulfur atom or NR 12 , X is OR 13 , SR 13 or NR 14 NR 15 , R 2 is a hydrogen atom, a formyl group, a C 1-10 alkyl group or the like, L 2 is a bond or the like, L 3 is a bond, CR 17 R 18 , an oxygen atom, a sulfur atom or NR 19 , L 4 is a bond, CR 20 R 21 , an oxygen atom, a sulfur atom or NR 22 , Y is an oxygen atom, a sulfur atom or NR 23 , and R 3 is a C 2-14 aryl group, a tautomer, prodrug or pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的化学式为(1)，其中A为氮原子或CR4，B为氧原子、硫原子或NR9（当A为氮原子时，B不为NH），R1为C2-14芳基基团，L1为键，CR10R11、氧原子、硫原子或NR12，X为OR13、SR13或NR14NR15，R2为氢原子、甲酰基、C1-10烷基或类似物，L2为键或类似物，L3为键，CR17R18、氧原子、硫原子或NR19，L4为键，CR20R21、氧原子、硫原子或NR22，Y为氧原子、硫原子或NR23，R3为C2-14芳基基团，化合物的互变异构体、前药或药学上可接受的盐或其溶剂。
• WO2008/27958
  申请人：——

  公开号：——

  公开（公告）日：——
• Mel'nikow; Kukalenko, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3744; engl. Ausg. S. 3702
  作者：Mel'nikow、Kukalenko

  DOI：——

  日期：——
• Corrosion inhibitors
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP0554023B1

  公开（公告）日：1997-04-23