L-天门冬氨酸二叔丁酯盐酸盐

• 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: L-天门冬氨酸二叔丁酯盐酸盐
• 中文别名: L-天冬氨酸二叔丁酯盐酸盐；L-天冬氨酸二叔丁基酯盐酸盐
• 英文名称: L-aspartic acid di-tert-butyl ester hydrochloride
• 英文别名: di-tert-Butyl L-aspartate hydrochloride；aspartic acid di-tert-butyl ester hydrochloride；H-Asp(O-tBu)-O-tBu hydrochloride；Asp(-OtBu)(-OtBu)*HCl；L-Asp(O^tBu)₂*HCl；[(2S)-1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]azanium;chloride
• 化学式: C₁₂H₂₃NO₄*ClH
• mdl: MFCD00034851
• 分子量: 281.78
• InChiKey: GVLZIMQSYQDAHB-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.18
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  78.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  L-天门冬氨酸二叔丁酯盐酸盐 在 potassium phosphate buffer 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以86%的产率得到L-天门冬氨酸-4-叔丁基酯
  参考文献：
  名称：

  Enzyme-Catalyzed Regioselective Hydrolysis of Aspartate Diesters

  摘要：

  DOI：

  10.1021/jo00129a066
• 作为产物：
  描述：

  Z-L-天冬氨酸叔丁酯叔丁酯 在 palladium 10% on activated carbon 、 甲酸铵 、 盐酸 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 19.0h， 以80%的产率得到L-天门冬氨酸二叔丁酯盐酸盐
  参考文献：
  名称：

  Synthesis and anticancer properties of RGD peptides conjugated to nitric oxide releasing functional groups and abiraterone

  摘要：

  A series of analogues of the integrin binding aspartic acid-glycine-arginine (RGD) peptide sequence were synthesised conjugated to nitric oxide (NO) donating functional groups. Also the cytotoxicity of abiraterone, a prostate cancer drug, was explored when it was conjugated in three part constructs to RGD sequences and NO releasing heterocycles. In general the analogues showed integrin binding affinity comparable to RGD reference compounds, and all released NO by the Griess test assay. Two analogues exhibited significant cytotoxic effects against PO and MCF7 cell lines. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2014.09.004

文献信息

• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150152108A1

  公开（公告）日：2015-06-04

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。
• Primary Amine-Thioureas with Improved Catalytic Properties for “Difficult” Michael Reactions: Efficient Organocatalytic Syntheses of (S)-Baclofen, (R)-Baclofen and (S)-Phenibut
  作者：Michail Tsakos、Christoforos G. Kokotos、George Kokotos

  DOI：10.1002/adsc.201100636

  日期：2012.3

  Among the class of primary amine‐thioureas based on tert‐butyl esters of α‐amino acids, the most efficient organocatalyst for “difficult” Michael reactions was identified. The derivative based on (S)‐di‐tert‐butyl aspartate and (1R,2R)‐diphenylethylenediamine provided the products of the reaction between aryl methyl ketones and nitroolefins in excellent yields and enantioselectivities. In addition

  在基于α-氨基酸叔丁基酯的伯胺硫脲类中，发现了“难”迈克尔反应最有效的有机催化剂。基于（S）-二叔丁基天冬氨酸盐和（1 R，2 R）-二苯基乙二胺的衍生物提供了芳基甲基酮与硝基烯烃之间反应的产物，收率和对映选择性极好。另外，这种新催化剂可以以低催化剂负载量（5mol％）使用。有效合成（S）-baclofen，（R）-baclofen和（S）-phenibut的方法突显了这种方法的实用性。
• Synthesis of Substituted Indolizidines and Quinolizidines by Regioselective Intramolecular Modified Julia Olefination of Imides
  作者：Bastien Raison、Nicolas Dussart、Laura Levy、Peter G. Goekjian、David Gueyrard

  DOI：10.1021/acs.joc.9b02834

  日期：2020.1.17

  We report the synthesis of substituted indolizidines and quinolizidines using the modified Julia olefination previously developed on imides. The study focuses on the regioselectivity of this reaction on unsymmetrically substituted imides. The scope and regioselectivity of the reaction are presented here, and its utility as a tool for synthesizing natural products is demonstrated through the total synthesis

  我们报道了使用以前在酰亚胺上开发的经过修饰的朱莉娅烯化反应合成取代的吲哚izidines和quinolizidines的方法。该研究集中于该反应在不对称取代的酰亚胺上的区域选择性。本文介绍了反应的范围和区域选择性，并通过潘达利嗪A的全合成证明了其作为合成天然产物的工具的效用。
• 4,6-HEXADECADIENE-2,4-DICARBOXYLIC ACID DERIVATIVE
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20150183809A1

  公开（公告）日：2015-07-02

  A 4,6-hexadecadiene-2,4-dicarboxylic acid derivative represented by the following general formula (1) or a pharmaceutically acceptable salt thereof, each of which has an anti-tumor activity, and the like, are provided. [wherein, R 1 represents hydroxy, —OR 3 (wherein R 3 represents optionally substituted lower alkyl or an optionally substituted aliphatic heterocyclic group), or —NR 4 R 5 (wherein R 4 and R 5 may be the same or different, and each represents a hydrogen atom or optionally substituted lower alkyl) and R 2 represents hydroxy or —OR 6 (wherein R 6 represents optionally substituted lower alkyl or optionally substituted aralkyl)]

  提供了一种具有抗肿瘤活性的4,6-十六碳二烯-2,4-二羧酸衍生物，该衍生物由以下通式(1)表示，或其药用可接受的盐等。 [其中，R1代表羟基，—OR3(其中R3代表可选地取代的低级烷基或可选地取代的脂肪族杂环基)或—NR4R5(其中R4和R5可以相同或不同，每个代表氢原子或可选地取代的低级烷基)，R2代表羟基或—OR6(其中R6代表可选地取代的低级烷基或可选地取代的芳烷基)]
• [EN] N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS<br/>[FR] COMPOSÉS N-HYDROXYFORMAMIDES ET COMPOSITIONS LES COMPRENANT POUR UNE UTILISATION COMME INHIBITEURS DE BMP1, TLL1 ET/OU TLL2
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2017006296A1

  公开（公告）日：2017-01-12

  Compounds of Formulas (I) and (II) and salts thereof; methods of making and using the same, including use for inhibiting BMP1, TLL1 and/or TLL2 and in treatment of diseases associated with BMP1, TLL1 and/or TLL2 activity.

  公式（I）和（II）的化合物及其盐；制备和使用这些化合物的方法，包括用于抑制BMP1、TLL1和/或TLL2以及治疗与BMP1、TLL1和/或TLL2活性相关的疾病的用途。