methyl (1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carboxylate | 145912-67-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: methyl (1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carboxylate
• 英文别名: (trans)-methyl 4-((tert-butyldimethylsilyl)oxy)cyclohexanecarboxylate
• CAS: 145912-67-0
• 化学式: C₁₄H₂₈O₃Si
• 分子量: 272.46
• InChiKey: OUOBFLNSBYINNJ-HAQNSBGRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl (1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carboxylate 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 2.67h， 生成 O-(((1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexyl)methyl) S-methyl carbonodithioate
  参考文献：
  名称：

  WO2023/233295

  摘要：

  公开号：
• 作为产物：
  描述：

  trans-Methyl4-hydroxycyclohexanecarboxylate 、 叔丁基二甲基氯硅烷 在 咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以86%的产率得到methyl (1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carboxylate
  参考文献：
  名称：

  [EN] HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS
  [FR] DÉRIVÉS HÉTÉROARYLDIHYDROPYRIMIDINE ET MÉTHODES DE TRAITEMENT D'INFECTIONS PAR LE VIRUS DE L'HÉPATITE B

  摘要：

  本文提供了一些用于治疗HBV感染的化合物，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。

  公开号：

  WO2019001420A1

文献信息

• IRAK INHIBITORS AND USES THEREOF
  申请人：NIMBUS IRIS, INC.

  公开号：US20130231328A1

  公开（公告）日：2013-09-05

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• IRAK inhibitors and uses thereof
  申请人：Nimbus Iris, Inc.

  公开号：US09212190B2

  公开（公告）日：2015-12-15

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• [EN] SUBSTITUTED THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS<br/>[FR] DÉRIVÉS SUBSTITUÉS DE THIADIAZOLYLE COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2022118210A1

  公开（公告）日：2022-06-09

  Disclosed herein are certain thiadiazolyl derivatives of Formula (I), (II), (III), or (IV): (I), (II), (III), (IV) that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  本文披露了某些Formula (I), (II), (III), 或 (IV)的噻二唑衍生物：(I), (II), (III), (IV)，它们抑制DNA聚合酶Theta (Polθ)的活性，特别是通过抑制Polθ的ATP依赖的解旋酶结构域活性来抑制Polθ的活性。此外，还披露了包含这些化合物的药物组合物以及治疗和/或预防通过抑制Polθ可治疗的疾病的方法，例如癌症，包括同源重组 (HR) 缺陷癌症。
• Discovery of LFF571: An Investigational Agent for <i>Clostridium difficile</i> Infection
  作者：Matthew J. LaMarche、Jennifer A. Leeds、Adam Amaral、Jason T. Brewer、Simon M. Bushell、Gejing Deng、Janetta M. Dewhurst、Jian Ding、JoAnne Dzink-Fox、Gabriel Gamber、Akash Jain、Kwangho Lee、Lac Lee、Troy Lister、David McKenney、Steve Mullin、Colin Osborne、Deborah Palestrant、Michael A. Patane、Elin M. Rann、Meena Sachdeva、Jian Shao、Stacey Tiamfook、Anna Trzasko、Lewis Whitehead、Aregahegn Yifru、Donghui Yu、Wanlin Yan、Qingming Zhu

  DOI：10.1021/jm201685h

  日期：2012.3.8

  Clostridium difficile (C. difficile) is a Gram positive, anaerobic bacterium that infects the lumen of the large intestine and produces toxins. This results in a range of syndromes from mild diarrhea to severe toxic megacolon and death. Alarmingly, the prevalence and severity of C. difficile infection are increasing; thus, associated morbidity and mortality rates are rising. 4-Aminothiazolyl analogues of the antibiotic natural product GE2270 A (1) were designed, synthesized, and optimized for the treatment of C. difficile infection. The medicinal chemistry effort focused on enhancing aqueous solubility relative to that of the natural product and previous development candidates (2, 3) and improving antibacterial activity. Structure-activity relationships, cocrystallographic interactions, pharmacokinetics, and efficacy in animal models of infection were characterized. These studies identified a series of dicarboxylic acid derivatives, which enhanced solubility/efficacy profile by several orders of magnitude compared to previously studied compounds and led to the selection of LFF571 (4) as an investigational new drug for treating C. difficile infection.