tert-butyl-3-hydroxy-2-methyl-1-oxo-1-phenylpropan-2-ylcarbamate | 851659-40-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl-3-hydroxy-2-methyl-1-oxo-1-phenylpropan-2-ylcarbamate
• 英文别名: tert-butyl 3-hydroxy-2-methyl-1-oxo-1-phenylpropan-2-ylcarbamate；tert-butyl N-(3-hydroxy-2-methyl-1-oxo-1-phenylpropan-2-yl)carbamate
• CAS: 851659-40-0
• 化学式: C₁₅H₂₁NO₄
• 分子量: 279.336
• InChiKey: XFSWVNJBZWZZOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl-3-hydroxy-2-methyl-1-oxo-1-phenylpropan-2-ylcarbamate 在 盐酸 、 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.59h， 生成 2-amino-2-methyl-3-oxo-3-phenylpropylacetate hydrochloride
  参考文献：
  名称：

  A New Family of Small Molecules To Probe the Reactivation of Mutant p53

  摘要：

  Cells that express mutant p53 derived from cancers are selectively killed by a new class of small organic molecules. The protein p53 is recognized as one of the most important guardians in the body that prevents tumor development. Mutant forms of p53 are present in approximately 50% of all human cancers. Molecules that selectively kill cells expressing mutant p53 could become important chemotherapeutic agents. Our research focuses on developing a synthetically accessible class of molecules that can be easily modified to examine structural activity relationships and mechanism of biological activity or to optimize for anticancer activity. In this communication, a new class of molecules that selectively arrests growth of cells expressing two forms of mutant p53 is described. Synthetic routes to these compounds are also presented.

  DOI：

  10.1021/ja045752y
• 作为产物：
  描述：

  (+/-)-tert-butyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 26.0h， 生成 tert-butyl-3-hydroxy-2-methyl-1-oxo-1-phenylpropan-2-ylcarbamate
  参考文献：
  名称：

  A New Family of Small Molecules To Probe the Reactivation of Mutant p53

  摘要：

  Cells that express mutant p53 derived from cancers are selectively killed by a new class of small organic molecules. The protein p53 is recognized as one of the most important guardians in the body that prevents tumor development. Mutant forms of p53 are present in approximately 50% of all human cancers. Molecules that selectively kill cells expressing mutant p53 could become important chemotherapeutic agents. Our research focuses on developing a synthetically accessible class of molecules that can be easily modified to examine structural activity relationships and mechanism of biological activity or to optimize for anticancer activity. In this communication, a new class of molecules that selectively arrests growth of cells expressing two forms of mutant p53 is described. Synthetic routes to these compounds are also presented.

  DOI：

  10.1021/ja045752y

文献信息

• Compounds and related methods for mutant p53 reactivation
  申请人：Appella H. Daniel

  公开号：US20050245616A1

  公开（公告）日：2005-11-03

  Ketoamine compounds and related methods for reactivation of tumor suppressor protein p53.

  Ketoamine化合物和相关方法用于重新激活肿瘤抑制蛋白p53。
• Compounds and Related Methods for Mutant p53 Reactivation
  申请人：Appella Daniel H.

  公开号：US20080206805A1

  公开（公告）日：2008-08-28

  Ketoamine compounds and related methods for reactivation of tumor suppressor protein p53.

  Ketoamine化合物及其相关方法，用于重新激活肿瘤抑制蛋白p53。
• [EN] COMPOUNDS AND RELATED METHODS FOR MUTANT p53 REACTIVATION<br/>[FR] COMPOSES ET PROCEDES ASSOCIES POUR UNE REACTIVATION DE P53 MUTANTE
  申请人：UNIV NORTHWESTERN

  公开号：WO2005042481A3

  公开（公告）日：2005-08-25
• US7329775B2
  申请人：——

  公开号：US7329775B2

  公开（公告）日：2008-02-12
• US7829304B2
  申请人：——

  公开号：US7829304B2

  公开（公告）日：2010-11-09