(2S,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-allyl ester 2-(2-trimethylsilanyl-ethyl) ester | 526223-53-0

• 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: (2S,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-allyl ester 2-(2-trimethylsilanyl-ethyl) ester
• 英文别名: 1-O-prop-2-enyl 2-O-(2-trimethylsilylethyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
• CAS: 526223-53-0
• 化学式: C₁₄H₂₅NO₅Si
• 分子量: 315.442
• InChiKey: CLLDUDWWTPPVFR-NEPJUHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  L-酪氨酸叔丁酯 、 (2S,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-allyl ester 2-(2-trimethylsilanyl-ethyl) ester 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Identification of TNF-α inhibitors from a split-Pool library based on a tyrosine-Proline peptidomimetic scaffold

  摘要：

  The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha induced apoptosis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00877-6
• 作为产物：
  描述：

  L-羟基脯氨酸 在 sodium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 (2S,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-allyl ester 2-(2-trimethylsilanyl-ethyl) ester
  参考文献：
  名称：

  Identification of TNF-α inhibitors from a split-Pool library based on a tyrosine-Proline peptidomimetic scaffold

  摘要：

  The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha induced apoptosis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00877-6

文献信息

• Identification of TNF-α inhibitors from a split-Pool library based on a tyrosine-Proline peptidomimetic scaffold
  作者：Randy W. Jackson、John C. Tabone、J.Jeffry Howbert

  DOI：10.1016/s0960-894x(02)00877-6

  日期：2003.1

  The design and synthesis of a combinatorial library based on a 4-aryloxyproline scaffold with tyrosine as the aryl portion is described. The 1728 member library was prepared using the split-pool method to generate pools of compounds. Screening of the library components as mixtures followed by deconvolution led to the discovery of novel inhibitors of TNF-alpha induced apoptosis. (C) 2002 Elsevier Science Ltd. All rights reserved.