(9H-fluoren-9-ylmethoxycarbonylamino)-(4-fluoro-phenyl)-acetic acid | 678988-18-6

• 物质功能分类: 生物化工 - 生化试剂 - 氨基酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (9H-fluoren-9-ylmethoxycarbonylamino)-(4-fluoro-phenyl)-acetic acid
• 英文别名: {[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}(4-fluorophenyl)acetic acid；2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-fluorophenyl)acetic acid
• CAS: 678988-18-6
• 化学式: C₂₃H₁₈FNO₄
• 分子量: 391.399
• InChiKey: UUEGPRZUDVECNF-UHFFFAOYSA-N

物化性质

• 熔点：
  168.1 °C
• 密度：
  1.2862 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 安全说明：
  S24/25

反应信息

• 作为产物：
  描述：

  DL-4-氟苯甘氨酸 、 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 (9H-fluoren-9-ylmethoxycarbonylamino)-(4-fluoro-phenyl)-acetic 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

• Organic Compounds
  申请人：Flor Peter Josef

  公开号：US20080242698A1

  公开（公告）日：2008-10-02

  The invention relates to novel diamines of the formula in which all variables are as defined in the specification, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

  本发明涉及一种新型二胺化合物，其化学式为，在该式中所有变量均如规范中定义，其为自由碱基形式或酸加成盐形式，涉及其制备方法，以及作为药物的用途和包含它们的药物。
• Organic diamines as mGluR7 modulators
  申请人：NOVARTIS AG

  公开号：EP2096104A1

  公开（公告）日：2009-09-02

  The invention relates to novel diamines of the formula in which all variables are as defined in the specification, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.

  本发明涉及式如下的新型二胺 其中所有变量均如说明书中所定义，以游离碱形式或酸加成盐形式存在，涉及它们的制备、作为药物的用途以及包含它们的药物。
• ORGANIC COMPOUNDS
  申请人：Novartis Pharma AG

  公开号：EP1924551A2

  公开（公告）日：2008-05-28
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2007025709A2

  公开（公告）日：2007-03-08

  [EN] The invention relates to novel diamines of the formula (I) in which all variables are as defined in the specification, in free base form or in acid addition salt form, to their preparation, to their use as medicaments and to medicaments comprising them.
  [FR] Diamines de formule (I), les variables de cette formule étant telles que définies dans la description, sous forme de base libre ou de sel d'addition d'acide, ainsi que leur élaboration, leur utilisation comme médicaments, et enfin médicaments les renfermant.