ethyl 4-(4-cyanophenoxy)butanoate | 147866-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 4-(4-cyanophenoxy)butanoate
• 英文别名: 4-(4-cyanophenoxy)-n-butyric acid ethyl ester；4-(4-Cyanophenoxy)butanoic acid ethyl ester；ethyl 4-(4-cyanophenoxy)butyrate
• CAS: 147866-81-7
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: LQAGCIKXGLLXSO-UHFFFAOYSA-N

物化性质

• 沸点：
  379.9±22.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-(4-cyanophenoxy)butanoate 生成 Ethyl 4-(4-carbamimidoylphenoxy)butanoate;hydrochloride
  参考文献：
  名称：

  Bioorganic and Medicinal Chemistry Letters. 1996, 6, 1443-1448

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴丁酸乙酯 、 4-羟基苯甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 4-(4-cyanophenoxy)butanoate
  参考文献：
  名称：

  2,3-diaminopropionic acid derivative

  摘要：

  本发明涉及式（1）的2,3-二氨基丙酸衍生物：##STR1##或其药用可接受的盐。本发明的化合物可用作血小板聚集抑制剂、癌转移抑制剂、伤口愈合剂或骨吸收抑制剂。

  公开号：

  US05707994A1

文献信息

• Peptide compound and a process for the preparation thereof
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05574016A1

  公开（公告）日：1996-11-12

  The present invention concerns glycoprotein IIa/IIIb antagonists and platelet aggregation inhibitors of the formula (I): ##STR1## wherein R.sup.1 is aryl which may have one or more suitable substituent(s), R.sup.2 is carboxy(lower)alkyl or protected carboxy(lower)alkyl, R.sup.3 is carboxy or protected carboxy, A.sup.1 is alkylene which may have one or more suitable substituent(s), A.sup.2 is a group of the formula: ##STR2## (wherein R is lower alkyl), or a group of the formula: --NHCH.sub.2 CH.sub.2 CO--, A.sup.3 is lower alkylene which may have one or more suitable substituent(s), l, m and n are each the same or different an integer of 0 or 1, with proviso that A.sup.2 is not a group of the formula: --NHCH.sub.2 CH.sub.2 CO--, when l is an integer of 0.

  本发明涉及公式（I）的糖蛋白IIa/IIIb拮抗剂和血小板聚集抑制剂：##STR1## 其中R1是苯基，可以有一个或多个适当的取代基；R2是羧基（较低）烷基或保护羧基（较低）烷基；R3是羧基或保护羧基；A1是可以有一个或多个适当的取代基的烷基；A2是下列式的基团：##STR2## （其中R是较低的烷基），或下列式的基团：--NHCH2CH2CO--；A3是可以有一个或多个适当的取代基的较低烷基；l，m和n分别是0或1的整数，但前提是当l为0的整数时，A2不是下列式的基团：--NHCH2CH2CO--。
• Production method of polyhydroxyalkanoate form substituted fatty acid ester as raw material
  申请人：——

  公开号：US20020081646A1

  公开（公告）日：2002-06-27

  Polyhydroxyalkanoates comprising a monomer unit having the following chemical formula (2): 1 (where the reference characters R represents an arbitrarily selected substituent and x represents an integer of 0 to 8) is produced by culturing a microorganism in a culture medium containing a substituted fatty acid ester having the following chemical formula (1): 2 (where the reference characters R and R′ separately denote an optional substituent and x represents an integer of 0 to 8). The microorganism is capable of taking the substituted fatty acid ester into the cells and synthesizing the desired polyhydroxyalkanoate in the culture medium.

  通过在含有以下化学式（1）的取代脂肪酸酯的培养基中培养微生物，产生具有以下化学式（2）的单体单位的聚羟基烷酯（其中参考字符R代表任意选择的取代基，x代表0到8的整数）。该微生物能够将取代脂肪酸酯带入细胞并在培养基中合成所需的聚羟基烷酯。
• New peptide compound and a process for the preparation thereof
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0513675A1

  公开（公告）日：1992-11-19

  A peptide compound of the formula : wherein R¹ isaryl which may have one or more suitable substituent(s), R² iscarboxy(lower)alkyl or protected carboxy(lower)alkyl, R³ iscarboxy or protected carboxy, A¹ isalkylene which may have one or more suitable substituent(s), A² isa group of the formula : (wherein R⁴ is lower alkyl), or a group of the formula :         -NHCH₂CH₂CO- , A³ islower alkylene which may have one or more suitable substituent(s), ℓ, m and n areeach the same or different an integer of 0 or 1, with proviso that A² is not a group of the formula :         -NHCH₂CH₂CO- , when ℓ is an integer of 0, or a pharmaceutically acceptable salt thereof, processes for their preparation and pharmaceutical compositions comprising them.

  式中的多肽化合物 其中 R¹ 是芳基，可带有一个或多个合适的取代基、 R² 是羧基（低级）烷基或受保护的羧基（低级）烷基、 R³ 是羧基或受保护的羧基、 A¹ 是亚烷基，可带有一个或多个合适的取代基、 A² 是式中的基团： (其中 R⁴ 是低级烷基）、 或式 -NHCH₂CH₂CO-、 A³ 是低级亚烷基，可具有一个或多个合适的取代基、 ℓ、m 和 n 各为相同或不同的 0 或 1 的整数、 但 A² 不是式中的基团： -NHCH₂CH₂CO-、 当 ℓ 为 0、 或其药学上可接受的盐、它们的制备方法以及包含它们的药物组合物。
• Production method of polyhydroxyalkanoate from substituted fatty acid ester as raw material
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1201763A2

  公开（公告）日：2002-05-02

  Polyhydroxyalkanoates comprising a monomer unit having the following chemical formula (2): (where the reference characters R represents an arbitrarily selected substituent and x represents an integer of 0 to 8) is produced by culturing a microorganism in a culture medium containing a substituted fatty acid ester having the following chemical formula (1): (where the reference characters R and R' separately denote an optional substituent and x represents an integer of 0 to 8). The microorganism is capable of taking the substituted fatty acid ester into the cells and synthesizing the desired polyhydroxyalkanoate in the culture medium.

  聚羟基烷酸酯由具有以下化学式(2)的单体单元组成： (其中参考字符 R 代表任意选择的取代基，x 代表 0 至 8 的整数），通过在含有具有以下化学式（1）的取代脂肪酸酯的培养基中培养微生物而制得： (其中参考字符 R 和 R'分别表示任选取代基，x 表示 0 至 8 的整数）。微生物能够将取代脂肪酸酯带入细胞，并在培养基中合成所需的聚羟基烷酸酯。
• Identification of 5-Substituted 2-Acylaminothiazoles That Activate Tat-Mediated Transcription in HIV-1 Latency Models
  作者：William Nguyen、Jonathan Jacobson、Kate E. Jarman、Helene Jousset Sabroux、Leigh Harty、James McMahon、Sharon R. Lewin、Damian F. Purcell、Brad E. Sleebs

  DOI：10.1021/acs.jmedchem.9b00462

  日期：2019.5.23

  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.