2-(4-chlorobenzyl)-5-methoxy-1-indanone | 851107-66-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(4-chlorobenzyl)-5-methoxy-1-indanone
• 英文别名: 2-(4-chlorobenzyl)-5-methoxyindan-1-one；2-[(4-chlorophenyl)methyl]-5-methoxy-2,3-dihydroinden-1-one
• CAS: 851107-66-9
• 化学式: C₁₇H₁₅ClO₂
• 分子量: 286.758
• InChiKey: HLPJQSXSVQYTRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-chlorobenzyl)-5-methoxy-1-indanone 在 溴 、 碳酸氢钠 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.25h， 生成 4-bromo-9a-(4-chlorobenzyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
  参考文献：
  名称：

  A Structure-Guided Approach to an Orthogonal Estrogen-Receptor-Based Gene Switch Activated by Ligands Suitable for in Vivo Studies

  摘要：

  A strategy to obtain a fully orthogonal estrogen-receptor-based gene switch responsive to molecules with acceptable pharmacological properties is presented. From a series of tetrahydrofluorenones active on the wild-type estrogen receptor (ER) an inactive analogue is chosen as a new lead compound. Coevolution of receptor mutants and ligands leads to an ER-based gene switch suitable for studies in animal models.

  DOI：

  10.1021/jm060516e
• 作为产物：
  描述：

  5-甲氧基-1-茚酮 在 platinum(IV) oxide 、 氢气 、 sodium methylate 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 7.0h， 生成 2-(4-chlorobenzyl)-5-methoxy-1-indanone
  参考文献：
  名称：

  Destabilizing Domains Derived from the Human Estrogen Receptor

  摘要：

  Methods to rapidly and reversibly perturb the functions of specific proteins are desirable tools for studies of complex biological processes. We have demonstrated an experimental strategy to regulate the intracellular concentration of any protein of interest by using an engineered destabilizing protein domain and a cell-permeable small molecule. Destabilizing domains have general utility to confer instability to a wide range of proteins including integral transmembrane proteins. This study reports a destabilizing domain system based on the ligand binding domain of the estrogen receptor that can be regulated by one of two synthetic ligands, CMP8 or 4-hydroxytamoxifen.

  DOI：

  10.1021/ja209933r

文献信息

• Orthogonal gene switches
  申请人：Ciliberto Gennaro

  公开号：US20070087346A1

  公开（公告）日：2007-04-19

  The present invention relates to an orthogonal gene switch for regulating the expression of a desired gene. The gene switch comprises a chimeric transcription factor that does not respond to endogenous ligands, and a ligand that is capable of activating the chimeric transcription factor but not endogenous transcription factors. The present invention also relates to the method of constructing the orthogonal gene switch.

  本发明涉及一种正交基因开关，用于调节所需基因的表达。该基因开关包括一个嵌合转录因子，不响应内源性配体，以及一种配体，能够激活嵌合转录因子，但不能激活内源性转录因子。本发明还涉及构建正交基因开关的方法。
• A Structure-Guided Approach to an Orthogonal Estrogen-Receptor-Based Gene Switch Activated by Ligands Suitable for in Vivo Studies
  作者：Olaf Kinzel、Daniela Fattori、Ester Muraglia、Paola Gallinari、Maria Chiara Nardi、Chantal Paolini、Giuseppe Roscilli、Carlo Toniatti、Odalys Gonzalez Paz、Ralph Laufer、Armin Lahm、Anna Tramontano、Riccardo Cortese、Raffaele De Francesco、Gennaro Ciliberto、Uwe Koch

  DOI：10.1021/jm060516e

  日期：2006.9.1

  A strategy to obtain a fully orthogonal estrogen-receptor-based gene switch responsive to molecules with acceptable pharmacological properties is presented. From a series of tetrahydrofluorenones active on the wild-type estrogen receptor (ER) an inactive analogue is chosen as a new lead compound. Coevolution of receptor mutants and ligands leads to an ER-based gene switch suitable for studies in animal models.
• ORTHOGONAL GENE SWITCHES
  申请人：ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.

  公开号：EP1680447A2

  公开（公告）日：2006-07-19
• [EN] ORTHOGONAL GENE SWITCHES<br/>[FR] COMMUTATEURS GENIQUES ORTHOGONAUX
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2005040212A2

  公开（公告）日：2005-05-06

  The present invention relates to an orthogonal gene switch for regulating the expression of a desired gene. The gene switch comprises a chimeric transcription factor that does not respond to endogenous ligands, and a ligand that is capable of activating the chimeric transcription factor but not endogenous transcription factors. The present invention also relates to the method of constructing the orthogonal gene switch.
• Destabilizing Domains Derived from the Human Estrogen Receptor
  作者：Yusuke Miyazaki、Hiroshi Imoto、Ling-chun Chen、Thomas J. Wandless

  DOI：10.1021/ja209933r

  日期：2012.3.7

  Methods to rapidly and reversibly perturb the functions of specific proteins are desirable tools for studies of complex biological processes. We have demonstrated an experimental strategy to regulate the intracellular concentration of any protein of interest by using an engineered destabilizing protein domain and a cell-permeable small molecule. Destabilizing domains have general utility to confer instability to a wide range of proteins including integral transmembrane proteins. This study reports a destabilizing domain system based on the ligand binding domain of the estrogen receptor that can be regulated by one of two synthetic ligands, CMP8 or 4-hydroxytamoxifen.