(S)-2-((benzyloxycarbonyl)(ethyl)amino)propanoic acid | 1038919-32-2

• 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: (S)-2-((benzyloxycarbonyl)(ethyl)amino)propanoic acid
• 英文别名: (2S)-2-[ethyl(phenylmethoxycarbonyl)amino]propanoic acid
• CAS: 1038919-32-2
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: BTEMZVZFHGLWJJ-JTQLQIEISA-N

物化性质

• 沸点：
  401.2±34.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-2-((benzyloxycarbonyl)(ethyl)amino)propanoic acid 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 20.0h， 生成 N-乙基-L-丙氨酸
  参考文献：
  名称：

  Synthesis of N-alkyl-N-methyl amino acids. Scope and limitations of base-induced N-alkylation of Cbz-amino acids

  摘要：

  The reaction of N-benzyloxycarbonyl derivatives of aliphatic amino acids with NaH/alkyl iodides gave the corresponding N-Cbz-N-alkyl derivatives in good to high yields. The scope and limitations of this simple N-alkylation reaction were investigated as a convenient and flexible attempt to prepare unsymmetrically N,N-diprotected alpha-amino acids. The procedure is based on the N-alkylation of N-carbamoyl amino acids, a one-pot deprotection/protection sequence without extensive purification of the products. Protection of the carboxyl function is not required while the starting materials are inexpensive and commercially available. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.03.025
• 作为产物：
  描述：

  苄氧羰基-L-丙氨酸 、 碘乙烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以90%的产率得到(S)-2-((benzyloxycarbonyl)(ethyl)amino)propanoic acid
  参考文献：
  名称：

  Synthesis of N-alkyl-N-methyl amino acids. Scope and limitations of base-induced N-alkylation of Cbz-amino acids

  摘要：

  The reaction of N-benzyloxycarbonyl derivatives of aliphatic amino acids with NaH/alkyl iodides gave the corresponding N-Cbz-N-alkyl derivatives in good to high yields. The scope and limitations of this simple N-alkylation reaction were investigated as a convenient and flexible attempt to prepare unsymmetrically N,N-diprotected alpha-amino acids. The procedure is based on the N-alkylation of N-carbamoyl amino acids, a one-pot deprotection/protection sequence without extensive purification of the products. Protection of the carboxyl function is not required while the starting materials are inexpensive and commercially available. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.03.025

文献信息

• [EN] SUBSTITUTED HETERO-AZEPINONES<br/>[FR] HÉTÉRO-AZÉPINONES SUBSTITUÉES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014023708A1

  公开（公告）日：2014-02-13

  There are provided compounds of the formula (1) wherein W, X, Y, Z, R1, R2, R3, R4, R5 and R6 are described herein. These compounds are useful for the treatment of proliferative diseases, including cancer.

  提供了符合式（1）的化合物，其中W、X、Y、Z、R1、R2、R3、R4、R5和R6如本文所述。这些化合物对于治疗增殖性疾病，包括癌症，是有用的。
• [EN] POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS<br/>[FR] ANTAGONISTES DE TLR7/8 POLYCYLIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES IMMUNES
  申请人：MERCK PATENT GMBH

  公开号：WO2017106607A1

  公开（公告）日：2017-06-22

  The present invention relates to compounds of Formula (I) and pharmaceutically acceptable compositions thereof, useful as toll-like receptor 7/8 (TLR7/8) antagonists. In Formula (I), Ring A is aryl or heteroaryl; Ring B is aryl or heteroary; and X is C(R4)2, O, NR4, S, S(R4), or S(R4)2.

  本发明涉及式(I)的化合物及其药学上可接受的组合物，作为Toll样受体7/8（TLR7/8）拮抗剂。在式(I)中，环A是芳基或杂芳基；环B是芳基或杂芳基；X是C(R4)2、O、NR4、S、S(R4)或S(R4)2。
• SUBSTITUTED HETERO-AZEPINONES
  申请人：Hoffman-La Roche Inc.

  公开号：US20150361059A1

  公开（公告）日：2015-12-17

  There are provided compounds of the formula wherein: V, W, X, Y, Z, R1, R2, R3, R4, R5 and R6 are described herein. The compounds are useful for the treatment of proliferative diseases, including cancer.

  提供的化合物的公式如下： 其中：V、W、X、Y、Z、R1、R2、R3、R4、R5和R6如本文所述。这些化合物对于治疗增殖性疾病，包括癌症，是有用的。
• NOVEL THIAZOLIDINE DERIVATIVES
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1103560A1

  公开（公告）日：2001-05-30

  An object of the present invention is to provide novel thiazolidine derivatives which are useful as drugs. The thiazolidine derivatives according to the present invention are compounds represented by the following general formula [I] and salts thereof, wherein R1 is alkyl, hydroxy, alkoxy, alkoxyalkyl, phenyl, phenylalkyl, phenylalkoxy, phenoxy, phenoxyalkyl, amino, alkylamino or a nonaromatic heterocycle; R2 is H or alkyl; R3 is H, alkyl or phenyl; R4 is H or alkyl; R5 is alkyl, halogenoalkyl, hydroxy, alkoxy, phenyl, phenylalkoxy, phenoxy, carboxyl, alkoxycarbonyl, phenylalkoxycarbonyl or an aromatic heterocycle; A1 is alkylene; and A2 is alkylene.

  本发明的目的是提供可用作药物的新型噻唑烷衍生物。根据本发明的噻唑烷衍生物是由以下通式[I]代表的化合物及其盐类、 其中 R1 是烷基、羟基、烷氧基、烷氧基烷基、苯基、苯基烷基、苯基烷氧基、苯氧基、苯氧基烷基、氨基、烷基氨基或非芳香杂环；R2 是 H 或烷基；R3 是 H、烷基或苯基；R4 是 H 或烷基；R5 是烷基、卤代烷基、羟基、烷氧基、苯基、苯基烷氧基、苯氧基、羧基、烷氧基羰基、苯基烷氧基羰基或芳香杂环；A1 是亚烷基；A2 是亚烷基。
• 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS
  申请人：Naeja Pharmaceutical Inc.

  公开号：EP0950046B1

  公开（公告）日：2002-04-10