(S)-5-叔丁基1-甲基2-氨基戊二酸酯 | 53838-27-0

• 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
• 中文名称: (S)-5-叔丁基1-甲基2-氨基戊二酸酯
• 英文名称: H-Glu(tBu)-OMe
• 英文别名: L-glutamic acid α-methyl γ-tert-butyl diester；5-tert-butyl ester-1-methyl-L-glutamate；H-(S)-Glu(tBu)-OMe；H-Glu(O-tBu)-OMe；L-glutamic acid-5-methylester-2-t-butylester；H-Glu(OBu^t)-OCH3；(s)-5-Tert-butyl 1-methyl 2-aminopentanedioate；5-O-tert-butyl 1-O-methyl (2S)-2-aminopentanedioate
• CAS: 53838-27-0
• 化学式: C₁₀H₁₉NO₄
• 分子量: 217.265
• InChiKey: JKIPBZRGKFRHKQ-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  (S)-5-叔丁基1-甲基2-氨基戊二酸酯 在 吡啶 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 14.0h， 生成 (S)-2-[3-(6-Hydroxy-naphthalen-1-yl)-ureido]-pentanedioic acid 5-tert-butyl ester 1-methyl ester
  参考文献：
  名称：

  Design, Synthesis, and Cocrystal Structure of a Nonpeptide Src SH2 Domain Ligand

  摘要：

  The specific association of an SH2 domain with a phosphotyrosine (pTyr)-containing sequence of another protein precipitates a cascade of intracellular molecular interactions (signals) which effect a wide range of intracellular processes. The nonreceptor tyrosine kinase Src, which has been associated with breast cancer and osteoporosis, contains an SH2 domain. Inhibition of Src SH2-phosphoprotein interactions by small. molecules will aid biological proof-of-concept studies which may lead to the development of novel therapeutic agents. Structure-based design efforts have focused on reducing the size and charge of Src SH2 ligands while increasing their ability to penetrate cells and reach the intracellular Src SH2 domain target. In this report we describe the synthesis, binding affinity, and Src SH2 cocrystal structure of a small, novel, nonpeptide, urea-containing SH2 domain ligand.

  DOI：

  10.1021/jm970402q
• 作为产物：
  描述：

  Z-L-GluOMe 在 硫酸 作用下， 生成 (S)-5-叔丁基1-甲基2-氨基戊二酸酯
  参考文献：
  名称：

  Klieger,E.; Gibian,H., Justus Liebigs Annalen der Chemie, 1962, vol. 655, p. 195 - 210

  摘要：

  DOI：

文献信息

• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20110092698A1

  公开（公告）日：2011-04-21

  The invention is concerned with novel bicyclic compounds of formula (I), wherein n, m, p, A, L, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 7 , R 8 , R 9 , and R 10 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor may be used, for example, in the prevention and/or treatment of inflammatory diseases, particularly peripheral arterial occlusive diseases or atherothrombosis.

  这项发明涉及式(I)的新颖双环化合物，其中n、m、p、A、L、R1、R2、R3、R4、R5、R6、R7、R7、R8、R9和R10如描述和索赔中所定义，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，例如可用于预防和/或治疗炎症性疾病，特别是外周动脉闭塞疾病或动脉粥样硬化形成。
• Synthesis of orthogonally protected optically pure ketopiperazine, diketopiperazine, ketodiazepane, and 3-aminopyrrolidone building blocks for peptidomimetic combinatorial chemistry
  作者：Gary Gellerman、Eran Hazan、Marina Kovaliov、Amnon Albeck、Shimon Shatzmiler

  DOI：10.1016/j.tet.2008.12.046

  日期：2009.2

  convenient synthesis of orthogonally protected multi-tethered, optically pure 2-ketopiperazine, diketopiperazine, 2-ketodiazepane and 3-aminopyrrolidone scaffolds for Fmoc combinatorial chemistry has been developed. It utilizes accessible chiral amino acid precursors, sequentially applying reductive alkylation, dipeptide coupling and regioselective ring formation as key steps. These scaffolds are expansion

  已经开发了一种简单且方便的用于Fmoc组合化学的正交保护的多链光学纯净的2-ketopiperazine，diketopiperazine，2-ketodiazepane和3-aminopyrrolidone支架的合成方法。它利用可及的手性氨基酸前体，依次应用还原性烷基化，二肽偶联和区域选择性环形成作为关键步骤。这些支架是我们“特权构件库”的扩展，可以通过“围绕支架”的药物优化，在三个独立的方向上将有价值的类似药物的性质引入任何与医学相关的哌嗪，二氮杂环庚烷和吡咯烷酮基序。这项工作中报道的合成途径是通用的，可用于制备多种骨架，控制手性，臂的位置和长度，以及臂上功能部分的性质，以便在三个独立方向上进一步多样化。此外，这些组成部分在组合化学和药物设计领域中管理快速高效的多循环优化过程中具有广泛的应用范围。
• [EN] HETEROCYCLIC SCAFFOLDS USEFUL FOR PREPARATION OF COMBINATORIAL LIBRARIES, LIBRARIES AND METHODS OF PREPARATION THEREOF<br/>[FR] ECHAFAUDAGES HÉTÉROCYCLIQUES UTILES POUR LA PRÉPARATION DE BIBLIOTHÈQUES COMBINATOIRES, BIBLIOTHÈQUES ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：ARIEL THE UNIVERSITY COMPANY F

  公开号：WO2009037642A1

  公开（公告）日：2009-03-26

  Disclosed are heterocyclic scaffolds useful, for example, for solid-phase organic synthesis of combinatorial libraries and methods for the preparation thereof. Also disclosed are libraries, including combinatorial libraries, and methods for preparation thereof. Exemplified are the following scaffolds (I):

  揭示了有用的杂环支架，例如用于组合库的固相有机合成以及其制备方法。还公开了包括组合库在内的库以及其制备方法。以下是示例支架（I）:
• [EN] IMMUNOSTIMULATING AGENT<br/>[FR] AGENT IMMUNOSTIMULANT
  申请人：AJINOMOTO KK

  公开号：WO2017073797A1

  公开（公告）日：2017-05-04

  The present invention aims to provide an immunostimulating agent superior in an immunostimulatory effect, particularly a compound useful as a vaccine adjuvant, a pharmaceutical composition containing the compound, a vaccine containing the compound and an antigen. The present invention relates to an immunostimulating agent containing at least one kind of a compound represented by the formula (I) : wherein each symbol is as defined in the DESCRIPTION, or a salt thereof, or at least one kind of a compound represented by the formula (II) : wherein each symbol is as defined in the DESCRIPTION, or a salt thereof.

  本发明旨在提供一种免疫刺激剂，其在免疫刺激效果方面优越，特别是作为疫苗佐剂有用的化合物，含有该化合物的药物组合物，含有该化合物和抗原的疫苗。本发明涉及一种免疫刺激剂，其至少包含下式(I)所表示的一种化合物：其中每个符号如描述中所定义，或其盐，或至少包含下式(II)所表示的一种化合物：其中每个符号如描述中所定义，或其盐。
• [EN] DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS<br/>[FR] DÉRIVÉS DU DIAZÉPAM EN TANT QUE MODULATEURS DES RÉCEPTEURS DES CHIMIOKINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011048032A1

  公开（公告）日：2011-04-28

  The invention is concerned with novel bicyclic compounds of Formula (I), wherein n, m, p, A, L, R1, R2, R3, R4, R5, R6, R7, R7, R8, R9 and R10 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  这项发明涉及公式（I）的新颖双环化合物，其中n、m、p、A、L、R1、R2、R3、R4、R5、R6、R7、R7、R8、R9和R10的定义如描述和索赔中所述，以及其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可用作药物。