4-(4-cyanophenoxy)butanoic acid | 87411-29-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-cyanophenoxy)butanoic acid
• 英文别名: 4-(4-cyanophenoxy)butyric acid
• CAS: 87411-29-8
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: XESIEDAKGYAATA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-cyanophenoxy)butanoic acid 在 二苯基膦叠氮化物 、 硫化氢 、 ammonium acetate 、 三乙胺 作用下， 以 吡啶 、 甲醇 、 丙酮 为溶剂， 反应 25.0h， 生成 (S)-2-((S)-3-Benzyloxycarbonyl-2-{3-[3-(4-carbamimidoyl-phenoxy)-propyl]-ureido}-propionylamino)-3-methyl-butyric acid benzyl ester; hydriodide
  参考文献：
  名称：

  Design, synthesis, and evaluation of orally active fibrinogen inhibitors

  摘要：

  Low molecular weight and orally active fibrinogen inhibitors are described. The compounds studied in this work were rationally designed based on a metabolic study of a peptidic fibrinogen inhibitor, 4-(4-amidinophenoxy)butanoylaspartylvaline (1, FK633), which led to the synthesis of a potent and orally active antiplatelet agent, 4-(4-amidinophenoxy)butanoylaspartylvalylthiomorpholine 1,1-dioxide (3 f, FR158999). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00055-3
• 作为产物：
  描述：

  ethyl 4-(4-cyanophenoxy)butanoate 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 4-(4-cyanophenoxy)butanoic acid
  参考文献：
  名称：

  Peptide compound and a process for the preparation thereof

  摘要：

  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--。

  公开号：

  US05574016A1

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。
• Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20040067576A1

  公开（公告）日：2004-04-08

  A polyhydroxyalkanoate having a monomer unit composition represented by General Formula (1): A m B (1−m) (1) wherein A is represented by General Formula (2), B is at least one selected from the group consisting of monomer units represented by General Formula (3) or (4), and m has a value of 0.01 or larger and smaller than 1: 1 wherein n has a value of 0 to 10, k has a value of 3 or 5, and R is at least one group selected from the group consisting of groups represented by General Formulae (5) to (7): 2 in Formula (5) R1 is a group selected from the group consisting of a hydrogen atom (H), halogen atoms, —CN, —NO 2 , —CF 3 , —C 2 F 5 . and —C 3 F 7 ; and q is an integer selected from 1 to 8; in Formula (6) R2 is a group selected from the group consisting of a hydrogen atom (H), halogen atoms, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 ; and r is an integer selected from 1 to 8; in Formula (7) R3 is a group selected from the group consisting of a hydrogen atom (H), halogen atoms, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 ; and s is an integer selected from 1 to 8. The efficient production methods are also provided.

  一种聚羟基脂肪酸酯，其单体单元组成由通式（1）表示：AmB（1-m）（1）其中，A由通式（2）表示，B至少选自通式（3）或（4）表示的单体单元组成的群体，m的值大于或等于0.01且小于1:1。其中n的值为0到10，k的值为3或5，R至少选自通式（5）到（7）表示的群体中的一种：2在公式（5）中，R1选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的群体，q为1到8之间的整数；在公式（6）中，R2选自氢原子（H）、卤素原子、—CN、— 、— 、— 和— 组成的群体，r为1到8之间的整数；在公式（7）中，R3选自氢原子（H）、卤素原子、—CN、— 、— 、— 和— 组成的群体，s为1到8之间的整数。同时还提供了高效的生产方法。
• 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。
• 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.
• Polyhydroxyalkanoate
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1113033B1

  公开（公告）日：2008-11-26