4-丙氧基-2-丁酮 | 89975-71-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-丙氧基-2-丁酮
• 英文名称: 1-Propyloxy-butanon-(3)
• 英文别名: 4-propoxy-butan-2-one；4-Propoxy-butan-2-on；4-Propoxy-2-butanone；4-propoxybutan-2-one
• CAS: 89975-71-3
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: CTGMQDUXYKIIBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  4-丙氧基-2-丁酮 、 苯肼,盐酸盐 在 盐酸 作用下， 生成 3-甲基-1-苯基-4,5-二氢吡唑
  参考文献：
  名称：

  Mazojan; Wartanjan, Izvestiya Akademii Nauk Armyanskoi SSR, Nauki o Zemle, 1955, vol. 8, # 2, p. 31,35

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烯基乙炔 、 丙醇 在 硫酸 、 水 、 mercury(II) sulfate 作用下， 生成 4-丙氧基-2-丁酮
  参考文献：
  名称：

  Nasarow et al., Zhurnal Obshchei Khimii, 1953, vol. 23, p. 1990,1993;engl.Ausg.S.2105,2107

  摘要：

  DOI：

文献信息

• ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE
  申请人：Yale University

  公开号：US20160045607A1

  公开（公告）日：2016-02-18

  The present invention relates to bifunctional compounds, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.

  本发明涉及双功能化合物，其作为靶向泛素化的调节剂具有实用性，特别是根据本发明抑制各种多肽和其他蛋白质的抑制剂。具体而言，本发明涉及一种在一端含有结合泛素连接酶的VHL配体，另一端含有结合靶蛋白的基团的化合物，使得靶蛋白位于靠近泛素连接酶以实现对该蛋白的降解（和抑制）。本发明展示了与根据本发明的化合物相关的广泛的药理活性范围，与靶向多肽的降解/抑制一致。
• PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF
  申请人：Howard Philip Wilson

  公开号：US20110256157A1

  公开（公告）日：2011-10-20

  Conjugates and compounds for making conjugates which are PBD molecules linked via the N10 position are disclosed, along with the use of the conjugates for treating proliferative diseases, including cancer.

  揭示了用于制备通过N10位置连接的PBD分子的共轭物和化合物，以及利用这些共轭物治疗增殖性疾病，包括癌症。
• Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation
  申请人：Beusker Patrick Henry

  公开号：US20080311136A1

  公开（公告）日：2008-12-18

  This invention relates to compounds comprising one or more therapeutic and/or diagnostic moieties and one or more functional moieties linked together via one or more triazole-containing linkers and to their intermediates and methods of their preparation. The triazole-containing linker may optionally contain one or more conditionally-cleavable or conditionally-transformable moieties and one or more spacer systems in between said moiety/moieties and the one or more therapeutic and/or diagnostic moieties.

  本发明涉及一种化合物，其中包含一个或多个治疗和/或诊断基团，以及一个或多个功能基团，通过一个或多个三唑含链连接在一起，以及它们的中间体和制备方法。三唑含链连接物可以选择性地包含一个或多个有条件可裂解或有条件可转化的基团，以及一个或多个间隔系统，位于所述基团和一个或多个治疗和/或诊断基团之间。
• Carbon-13 NMR spectra of 1,3-dioxolanes. II—determination of α, β and γ parameters for 2- and 4-methyl groups in stereoisomeric derivatives by the pattern molecule method
  作者：Antonio Espinosa、Miguel A. Gallo、Joaquín Campos、Antonio Entrena、Encarnación Camacho

  DOI：10.1002/mrc.1260260204

  日期：1988.2

  3‐dioxolane ring, the molecular pattern method allows the establishment of α, β and γ parameters for the 2‐Me and 4‐Me substituents. Values of α, β and γ additive parameters for the syn and anti 4‐Me group in 2,2,4‐trisubstituted‐1,3‐dioxolanes are proposed. The average values of the α, β and γ effects for the 2‐Me and 4‐Me groups obtained by the molecular pattern method are consistent with those reported

  基于 1,3-二氧戊环的立体化学，分子模式法允许建立 2-Me 和 4-Me 取代基的 α、β 和 γ 参数。提出了 2,2,4-三取代-1,3-二氧戊环中syn 和anti 4-Me 基团的α、β 和γ 加成参数值。通过分子模式方法获得的 2-Me 和 4-Me 组的 α、β 和 γ 效应的平均值与多元线性回归分析报告的结果一致。
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR
  申请人：Arvinas, Inc.

  公开号：US20160214972A1

  公开（公告）日：2016-07-28

  The present invention relates to bifunctional compounds, which find utility to degrade and (inhibit) Androgen Receptor. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds Androgen Receptor such that Androgen Receptor is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of Androgen Receptor. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of Androgen Receptor.

  本发明涉及双功能化合物，其可用于降解和（抑制）雄激素受体。具体而言，本发明涉及含有一端结合到泛素连接酶的VHL配体和另一端结合雄激素受体的基团的化合物，使得雄激素受体靠近泛素连接酶，从而使雄激素受体发生降解（和抑制）。本发明展现了广泛的药理活性，与本发明的化合物的降解/抑制雄激素受体的作用一致。

表征谱图