N-formyl-(S)-leucine tert-butyl ester | 61900-40-1

• 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: N-formyl-(S)-leucine tert-butyl ester
• 英文别名: tert-butyl (S)-3-N-formyl-3-leucinate；N-formyl-L-leucine tert-butyl ester；tert-butyl (2S)-2-formamido-4-methylpentanoate
• CAS: 61900-40-1
• 化学式: C₁₁H₂₁NO₃
• 分子量: 215.293
• InChiKey: HYZZVQHAOQMBMI-VIFPVBQESA-N

物化性质

• 沸点：
  330.7±25.0 °C(Predicted)
• 密度：
  0.976±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-formyl-(S)-leucine tert-butyl ester 在 三氟乙酸 作用下， 生成 N-甲酰基-L-亮氨酸
  参考文献：
  名称：

  Nα-甲酰基氨基酸叔丁酯的有效制备。

  摘要：

  DOI：

  10.1021/jo00431a046
• 作为产物：
  描述：

  L-亮氨酸叔丁酯盐酸盐 在 3 A molecular sieve 、 Moehr's salt 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 50.33h， 生成 N-formyl-(S)-leucine tert-butyl ester
  参考文献：
  名称：

  A Mild Method for Formylating Amino Esters Without Using any Formylating Agent

  摘要：

  DOI：

  10.1055/s-1998-2025

文献信息

• A Simple and Convenient Synthesis of N-Formyl Amino Acid Esters Under Mild Conditions
  作者：W. Duczek、J. Deutsch、S. Vieth、H.-J. Niclas

  DOI：10.1055/s-1996-4153

  日期：1996.1

  A variety of amino acid ester hydrochlorides react with cyanomethyl formate at room temperature to give the N-formyl amino acid esters in good yields and without racemization.

  多种氨基酸酯盐酸盐在室温下与氰基甲基甲酸酯反应，生成N-甲酰氨基酸酯，产率良好且没有消旋化现象。
• Trifluoromethyl-substituted hydantoins, versatile building blocks for rational drug design
  作者：Volkmar Wehner、Hans-Ulrich Stilz、Sergej N Osipov、Alexander S Golubev、Joachim Sieler、Klaus Burger

  DOI：10.1016/j.tet.2004.03.025

  日期：2004.5

  Preparatively simple, one-pot syntheses of trifluoromethyl-substituted hydantoins starting from Boc-protected imines of hexafluoroacetone and trifluoropyruvate are described. They represent valuable building blocks for the construction of constrained peptides or as scaffolds for the synthesis of highly potent VLA-4 antagonists.

  描述了从六氟丙酮和三氟丙酮酸的Boc保护的亚胺开始的制备简单的一锅合成的三氟甲基取代的乙内酰脲。它们代表了构建受约束的肽或作为合成高效VLA-4拮抗剂的支架的有价值的组成部分。
• Bis(trifluoromethyl)hydantoins as intermediates for pharmaceutically active ingredients
  申请人：——

  公开号：US20020183374A1

  公开（公告）日：2002-12-05

  The present invention relates to hydantoins of formula I, 1 in which R is the residue of an amino carboxylic acid or of an amino carboxylic acid derivative, which is obtained formally by removing an NH 2 group from an amino carboxylic acid or an amino carboxylic acid derivative, to the preparation thereof and to the use thereof as intermediates, in particular for preparing pharmaceutically active ingredients.

  本发明涉及公式I的咪唑二酮，其中R是氨基羧酸或氨基羧酸衍生物的残基，其形式上是通过从氨基羧酸或氨基羧酸衍生物中去除NH2基而获得的，以及其制备和用作中间体的用途，特别是用于制备具有药用活性的成分。
• Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them
  申请人：——

  公开号：US20030073723A1

  公开（公告）日：2003-04-17

  The present invention relates to novel imidazolidine derivatives of formula I, 1 wherein A, E, Z, R 1 , R 2 , R 3 , R 4 and R 5 have the meanings indicated in the claims. The compounds of formula I are valuable pharmaceutical active compounds which are suitable, for example, for the treatment of inflammatory diseases, including rheumatoid arthritis, or allergic diseases. The compounds of formula I are inhibitors of the adhesion and migration of leukocytes and/or antagonists of the adhesion receptor VLA-4 belonging to the integrins group. They are generally suitable for the treatment of diseases which are caused by an undesired extent of leukocyte adhesion and/or leukocyte migration or are associated therewith or in which cell-cell or cell-matrix interactions which are based on the interactions of VLA-4 receptors with their ligands play a role. The invention furthermore relates to processes for the preparation of the compounds of formula I, their use and pharmaceutical preparations which contain compounds of formula I.

  本发明涉及公式I的新型咪唑啉衍生物，其中A、E、Z、R1、R2、R3、R4和R5具有所述权利要求中指示的含义。公式I的化合物是有价值的药物活性化合物，可用于治疗炎症性疾病，包括类风湿性关节炎或过敏性疾病。公式I的化合物是白细胞黏附和迁移的抑制剂和/或属于整合素组的黏附受体VLA-4的拮抗剂。它们通常适用于由白细胞黏附和/或白细胞迁移过度引起的疾病，或与之相关的疾病，或在其中基于VLA-4受体与其配体的相互作用的细胞-细胞或细胞-基质相互作用发挥作用的疾病的治疗。本发明还涉及公式I化合物的制备方法，它们的用途和含有公式I化合物的制药制剂。
• COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA
  申请人：McClay Allen

  公开号：US20090047221A1

  公开（公告）日：2009-02-19

  There is described compounds for use in therapy, said compounds being defined by Formula (1): There is also described an anti-proliferative composition comprising one or more compounds according to Formula (1), and a method of treatment of neoplasia comprising the administration of such a compound or composition.

  本文描述了用于治疗的化合物，该化合物由公式（1）定义：还描述了一种抗增殖组合物，其中包括一个或多个符合公式（1）的化合物，以及一种治疗肿瘤的方法，包括给予这样的化合物或组合物。