(R)-tert-butyl-3-(tert-butyldimethylsilyloxy)-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate | 851667-52-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-tert-butyl-3-(tert-butyldimethylsilyloxy)-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
• 英文别名: [(R)-2-(tert-butyldimethylsilanyloxy)-1-(methoxymethylcarbamoyl)ethyl]carbamic acid tert-butyl ester；tert-butyl N-[(1R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[methoxy(methyl)amino]-2-oxo-ethyl]carbamate；(R)-tert-butyl 3,8,8,9,9-pentamethyl-4-oxo-2,7-dioxa-3-aza-8-siladecan-5-ylcarbamate；(R)-tert-butyl 3-(tert-butyldimethylsilyloxy)-1 (methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate；tert-butyl N-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
• CAS: 851667-52-2
• 化学式: C₁₆H₃₄N₂O₅Si
• 分子量: 362.542
• InChiKey: MBTRMYMICPKJNH-GFCCVEGCSA-N

物化性质

• 密度：
  1.011±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-tert-butyl-3-(tert-butyldimethylsilyloxy)-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate 在 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 24.0h， 生成 (2R)-2-[N-(tert-butyloxycarbonyl)amino]-3-hydroxy-1-phenyl-propan-1-one
  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 N-[(1R)-1-(hydroxymethyl)-2-[methoxy(methyl)amino]-2-oxo-ethyl]carbamate 在 咪唑 、 叔丁基二甲基氯硅烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 (R)-tert-butyl-3-(tert-butyldimethylsilyloxy)-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
  参考文献：
  名称：

  SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3

  摘要：

  A main challenge in the development of new agents for the treatment of Pseudomonas aeruginosa infections is the identification of chemotypes that efficiently penetrate the cell envelope and are not susceptible to established resistance mechanisms. Siderophore-conjugated monocarbams are attractive because of their ability to hijack the bacteria's iron uptake machinery for transport into the periplasm and their inherent stability to metallo-beta-lactamases. Through development of the SAR we identified a number of modifications to the scaffold that afforded active anti-P. aeruginosa agents with good physicochemical properties. Through crystallographic efforts we gained a better understanding into how these compounds bind to the target penicillin binding protein PBP3 and factors to consider for future design.

  DOI：

  10.1021/acsmedchemlett.5b00026

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。
• COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS
  申请人：Mutabilis

  公开号：EP3300736B1

  公开（公告）日：2021-05-05
• [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
• CN115433157
  申请人：——

  公开号：——

  公开（公告）日：——