(S)-3-cyclopropylalanine tert-butyl ester | 457059-27-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 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)-3-cyclopropylalanine tert-butyl ester
• 英文别名: tert-butyl (S)-2-amino-3-cyclopropylpropanoate；(S)-β-cyclopropylalanine tert-butyl ester；(S)-tert-Butyl 2-amino-3-cyclopropylpropanoate；tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
• CAS: 457059-27-7
• 化学式: C₁₀H₁₉NO₂
• 分子量: 185.266
• InChiKey: RCKUJSHNLSHNJR-QMMMGPOBSA-N

物化性质

• 沸点：
  233.5±13.0 °C(Predicted)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-3-cyclopropylalanine tert-butyl ester 在 三乙胺 、 氯甲酸三氯甲酯 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 tert-butyl (S)-2-[4,4-bis(trifluoromethyl)-2,5-dioxo-1,3-imidazolidin-1-yl]-2-(cyclopropylmethyl)acetate
  参考文献：
  名称：

  三氟甲基取代的乙内酰脲，用于合理药物设计的多功能构建基块

  摘要：

  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。

  DOI：

  10.1016/j.tet.2004.03.025
• 作为产物：
  描述：

  L-环丙基丙氨酸 、 异丁烯 在 硫酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以84%的产率得到(S)-3-cyclopropylalanine tert-butyl ester
  参考文献：
  名称：

  三氟甲基取代的乙内酰脲，用于合理药物设计的多功能构建基块

  摘要：

  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。

  DOI：

  10.1016/j.tet.2004.03.025

文献信息

• 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.

  本发明涉及具有以下式I的新型咪唑啉衍生物， 其中A、E、Z、R1、R2、R3、R4和R5在权利要求中所示。式I的化合物是有价值的药用活性化合物，例如适用于治疗炎症性疾病，包括类风湿关节炎或过敏性疾病。式I的化合物是白细胞粘附和迁移的抑制剂和/或整合素群中属于粘附受体VLA-4的拮抗剂。它们通常适用于由白细胞粘附和/或白细胞迁移的不良程度引起的疾病的治疗，或与之相关的疾病，或者在其中基于VLA-4受体与其配体相互作用的细胞-细胞或细胞-基质相互作用起作用的疾病。此外，本发明还涉及制备式I化合物的方法，它们的用途以及含有式I化合物的药物制剂。
• 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的咪唑啉，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基团而获得的，以及其制备和用作中间体的用途，特别是用于制备药用活性成分。
• [EN] IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT.<br/>[FR] DERIVES D'IMIDAZOLIDINE, LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'AGENT ANTI-INFLAMMATOIRE
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2002072573A1

  公开（公告）日：2002-09-19

  The present invention relates to novel imidazolidine derivatives of formula (I), in which A, E, Z, R?1, R2, R3, R4 and R5¿ 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, for example of rheumatoid arthritis, or of allergic diseases. The compounds of the formula (I) are inhibitors of the adhesion and migration of leukoxytes and/or antagonists of the adhesion receptor VLA-4 belonging to teh integrins group. They are generally suitable for teh treatment of diseases which are caused by an undesired extend 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).

  本发明涉及一种新的咪唑啉衍生物的公式(I)，其中A、E、Z、R1、R2、R3、R4和R5具有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，例如适用于治疗炎症性疾病，例如类风湿性关节炎或过敏性疾病。公式(I)的化合物是白细胞粘附和迁移的抑制剂和/或属于整合素组的粘附受体VLA-4的拮抗剂。它们通常适用于由白细胞粘附和/或白细胞迁移的不良扩展引起的疾病，或者与之相关的细胞-细胞或细胞-基质相互作用或VLA-4受体与其配体相互作用的疾病。此外，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。
• 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20220389005A1

  公开（公告）日：2022-12-08

  The present invention is directed to 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives, stereoisomers, isotopologues, isotopomers and pharmaceutically acceptable salts thereof, pharmaceutical compositions containing said compounds and the use of said compounds in the treatment and/or prophylaxis of thromboembolic disorders, inflammatory disorders and diseases or conditions in which plasma kallikrein activity is implicated.

  本发明涉及7,8-二氢苯并[e]吡啶[3,4-c]氮杂环-2,5(3H,6H)-二酮衍生物、立体异构体、同位素拓扑构型、同位素拓扑异构体和其药学上可接受的盐，含有该化合物的制药组合物以及在治疗和/或预防血栓栓塞性疾病、炎症性疾病以及涉及血浆卡利肌酶活性的疾病或病况中使用该化合物的用途。
• Inhibitors of cysteine proteases and methods of use thereof
  申请人：Pardes Biosciences, Inc.

  公开号：US11174231B1

  公开（公告）日：2021-11-16

  The disclosure provides compounds with warheads and their use in treating medical diseases or disorders, such as viral infections. Pharmaceutical compositions and methods of making various compounds with warheads are provided. The compounds are contemplated to inhibit proteases, such as the 3C, CL- or 3CL-like protease.

  本公开提供了带有弹头的化合物及其在治疗医学疾病或失调（如病毒感染）中的用途。提供了药物组合物和制造各种带弹头化合物的方法。这些化合物可用于抑制蛋白酶，如 3C、CL 或 3CL 样蛋白酶。