(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-fluorophenyl) propanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-fluorophenyl) propanoic acid
• 英文别名: 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)propanoic acid；2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid
• 化学式: C₂₄H₂₀FNO₄
• 分子量: 405.426
• InChiKey: ARHOAMSIDCQWEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-fluorophenyl) propanoic acid 在 二乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 生成 2-amino-3-(2-fluorophenyl)-N-methylpropanamide
  参考文献：
  名称：

  一种PIN1抑制剂及其在制备药物中的用途

  摘要：

  本发明公开了一种抑制剂，具体涉及一类PIN1抑制剂以及在制备药物中的用途。本发明公开了式I所示的化合物、或其立体异构体在制备抑制PIN1类药物中的用途，为临床上筛选和/或制备与PIN1活性相关的疾病的药物提供了一种新的选择。#imgabs0#

  公开号：

  CN118063464A
• 作为产物：
  描述：

  2-氟-DL-苯丙氨酸 、 9-芴甲基-N-琥珀酰亚胺基碳酸酯 在 phosphate buffer 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(2-fluorophenyl) propanoic acid
  参考文献：
  名称：

  Novel Selective Inhibitors of the Interaction of Individual Nuclear Hormone Receptors with a Mutually Shared Steroid Receptor Coactivator 2

  摘要：

  Nuclear hormone receptor (NR) signaling, currently a therapeutic target in multiple diseases, involves an ordered series of protein interactions to regulate transcription in response to changing hormone levels. Later steps in the process of ligand-dependent signaling are driven by a highly conserved interaction between the NRs and the steroid receptor coactivators (SRCs) that is effected by a conserved interaction motif (L1XXL2L3), known as an NR box. Using computational design and combinatorial chemistry, we have produced novel alpha-helical proteomimetics of the second NR box of SRC2 that exploit structural differences between human estrogen receptor alpha (hERalpha), human estrogen receptor beta (hERbeta), and human thyroid hormone receptor beta (hTRbeta). The resulting library sequentially replaced each leucine with non-natural side chains. Screening this library using a quantitative competition assay revealed compounds that selectively inhibit the interaction of SRC2-2 with each individual NR in preference to its interaction with the other NR. This approach generated highly selective compounds from one that had no specificity for a particular family member. These compounds represent the first family-member-selective competitive inhibitors of the protein interactions of transcription factors.

  DOI：

  10.1021/ja0348391

文献信息

• MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA
  申请人：Lee Jinbo

  公开号：US20100152099A1

  公开（公告）日：2010-06-17

  The invention provides macrocyclic compounds and methods for their synthesis and use. In particular, the invention provides macrocyclic compounds that modulate the activity of tumor necrosis factor alpha and/or are useful in the treatment of medical conditions, such as, rheumatoid arthritis, psoriasis, and asthma.

  该发明提供了大环化合物及其合成和使用方法。具体而言，该发明提供了调节肿瘤坏死因子α活性和/或用于治疗医学状况（如类风湿性关节炎、银屑病和哮喘）的大环化合物。
• Small molecule conjugates for intracellular delivery of nucleic acids
  申请人：Hoffmann-La Roche Inc.

  公开号：US20140135380A1

  公开（公告）日：2014-05-15

  The invention provides use of novel compounds for delivery of nucleic acids, and conjugates of these compounds with nucleic acids. Further novel design criteria for chemically stabilized siRNA particular useful when covalently attached to said compounds and co-administered with a delivery polymer to achieve mRNA knock down in vivo are disclosed therein.

  本发明提供了一种使用新化合物进行核酸传递的方法，并提供了这些化合物与核酸的结合物。此外，还揭示了一种新的设计标准，用于化学稳定的siRNA，当与该化合物共价结合并与传递聚合物共同给予时，可在体内实现mRNA靶向下调。
• Small molecule conjugates for intracellular delivery of biologically active compounds
  申请人：Hoffmann-La Roche Inc.

  公开号：US20140135381A1

  公开（公告）日：2014-05-15

  The invention provides novel compounds and conjugates of these compounds useful for the delivery of biologically active substances. Further novel design criteria for chemically stabilized siRNA particular useful when covalently attached to a delivery polymer to achieve in vivo mRNA knock down are disclosed therein.

  本发明提供了新型化合物及其共轭物，用于传递生物活性物质。本发明还揭示了化学稳定的siRNA的新设计标准，特别是当与传递聚合物共价连接以实现体内mRNA敲下时，这些标准非常有用。
• SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2658981A1

  公开（公告）日：2013-11-06
• SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2658982A1

  公开（公告）日：2013-11-06