benzyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate | 400652-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
• CAS: 400652-51-9
• 化学式: C₁₆H₂₄N₂O₄
• 分子量: 308.378
• InChiKey: AOZWTKKZQPIHNR-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate 在 5% Pd(II)/C(eggshell) 、 氢气 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以100%的产率得到((2S)-2-氨基丙基)氨基甲酸叔丁酯
  参考文献：
  名称：

  Parallel Synthesis of An Oligomeric Imidazole-4,5-dicarboxamide Library

  摘要：

  A library of oligomeric compounds was synthesized based on the imidazole-4,5-dicarboxylic acid scaffold along, with amino acid esters and chiral diamines derived from amino acids. The final compounds incorporate nonpolar amino acids (Leu, Phe, Trp), polar amino acids (Ser, Asp, Arg), and neutral amino acids (Gly, Ala), and were designed to be useful in screening for inhibitors of protein-protein interactions. Many of the protected and deprotected oligomers show evidence of conformational isomers persistent at room temperature in aqueous solution. A total of 317 final oligomers, out of 441 targeted compounds, were obtained in high analytical purity and of sufficient quantity to submit them for high-throughput screening as part of the NIH Roadmap.

  DOI：

  10.1021/cc1000105
• 作为产物：
  描述：

  (S)-1-氨基丙烷-2-氨基甲酸苄酯 、 二碳酸二叔丁酯 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 benzyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
  参考文献：
  名称：

  Parallel Synthesis of An Oligomeric Imidazole-4,5-dicarboxamide Library

  摘要：

  A library of oligomeric compounds was synthesized based on the imidazole-4,5-dicarboxylic acid scaffold along, with amino acid esters and chiral diamines derived from amino acids. The final compounds incorporate nonpolar amino acids (Leu, Phe, Trp), polar amino acids (Ser, Asp, Arg), and neutral amino acids (Gly, Ala), and were designed to be useful in screening for inhibitors of protein-protein interactions. Many of the protected and deprotected oligomers show evidence of conformational isomers persistent at room temperature in aqueous solution. A total of 317 final oligomers, out of 441 targeted compounds, were obtained in high analytical purity and of sufficient quantity to submit them for high-throughput screening as part of the NIH Roadmap.

  DOI：

  10.1021/cc1000105

文献信息

• HSPC-sparing treatments for Rb-positive abnormal cellular proliferation
  申请人：G1 Therapeutics, Inc.

  公开号：US10434104B2

  公开（公告）日：2019-10-08

  This invention is in the area of improved compounds for and methods of treating selected RB-positive cancers and other Rb-positive abnormal cellular proliferative disorders while minimizing the deleterious effects on healthy cells, for example healthy Hematopoietic Stem Cells and Progenitor Cells (HSPCs), associated with current treatment modalities. In one aspect, improved treatment of select RB-positive cancers is disclosed using specific compounds disclosed herein. In certain embodiments, the compounds described herein act as highly selective and, in certain embodiments, short, transiently-acting cyclin-dependent kinase 4/6 (CDK 4/6) inhibitors when administered to subjects.

  本发明涉及用于治疗选定的 RB 阳性癌症和其它 Rb 阳性异常细胞增殖性疾病的改良化合物和方法，同时最大限度地减少与当前治疗方法相关的对健康细胞（例如健康的造血干细胞和祖细胞（HSPC））的有害影响。在一个方面，本文公开了使用本文公开的特定化合物改善对特定 RB 阳性癌症的治疗。在某些实施方案中，本文所述的化合物在给受试者用药时可作为高选择性、在某些实施方案中为短效、瞬时作用的细胞周期蛋白依赖性激酶4/6（CDK 4/6）抑制剂。
• Diazepinones as antiviral agents
  申请人：——

  公开号：US20040116410A1

  公开（公告）日：2004-06-17

  The invention is novel compounds of formula (I) which exhibit an improved therapeutic index and improved metabolic stability which are useful in the treatment and/or prevention of herpes viral infections. Novel intermediates useful in the synthesis of the final compounds are also part of the invention.
• HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS
  申请人：G1 Therapeutics, Inc.

  公开号：US20200345743A1

  公开（公告）日：2020-11-05

  This invention is in the area of improved compounds and methods for treating selected cancers and hyperproliferative disorders.
• [EN] DIAZEPINONES AS ANTIVIRAL AGENTS<br/>[FR] DIAZEPINONES UTILISEES COMME AGENTS ANTIVIRAUX
  申请人：WARNER LAMBERT CO

  公开号：WO2002014324A2

  公开（公告）日：2002-02-21

  The invention is novel compounds of formula (I) which exhibit an improved therapeutic index and improved metabolic stability which are useful in the treatment and/or prevention of herpes viral infections. Novel intermediates useful in the synthesis of the final compounds are also part of the invention.
• Parallel Synthesis of An Oligomeric Imidazole-4,5-dicarboxamide Library
  作者：Zhigang Xu、John C. DiCesare、Paul W. Baures

  DOI：10.1021/cc1000105

  日期：2010.3.8

  A library of oligomeric compounds was synthesized based on the imidazole-4,5-dicarboxylic acid scaffold along, with amino acid esters and chiral diamines derived from amino acids. The final compounds incorporate nonpolar amino acids (Leu, Phe, Trp), polar amino acids (Ser, Asp, Arg), and neutral amino acids (Gly, Ala), and were designed to be useful in screening for inhibitors of protein-protein interactions. Many of the protected and deprotected oligomers show evidence of conformational isomers persistent at room temperature in aqueous solution. A total of 317 final oligomers, out of 441 targeted compounds, were obtained in high analytical purity and of sufficient quantity to submit them for high-throughput screening as part of the NIH Roadmap.