(甲基-吡啶-2-甲基-氨基)-乙酸 | 669083-52-7

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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
• 中文名称: (甲基-吡啶-2-甲基-氨基)-乙酸
• 中文别名: N-甲基-N-(吡啶-2-甲基)甘氨酸；N-甲基-N-(2-吡啶基甲基)甘氨酸
• 英文名称: 2-(methyl(pyridin-2-ylmethyl)amino)acetic acid
• 英文别名: 2-[methyl(pyridin-2-ylmethyl)amino]acetic acid；2-[Methyl(pyridin-2-ylmethyl)azaniumyl]acetate
• CAS: 669083-52-7
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: ZWHPSRPVBRXIJM-UHFFFAOYSA-N

物化性质

• 沸点：
  303.7±27.0 °C(Predicted)
• 密度：
  1.198

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  氯化铑三水合物 、 (甲基-吡啶-2-甲基-氨基)-乙酸 、 乙腈 以 水 为溶剂， 反应 16.0h， 以68%的产率得到
  参考文献：
  名称：

  Octahedral rhodium(III) complexes as kinase inhibitors: Control of the relative stereochemistry with acyclic tridentate ligands

  摘要：

  Octahedral metal complexes are attractive structural templates for the design of enzyme inhibitors as has been demonstrated, for example, with the development of metallo-pyridocarbazoles as protein kinase inhibitors. The octahedral coordination sphere provides untapped structural opportunities but at the same time poses the drawback of dealing with a large number of stereoisomers. In order to address this challenge of controlling the relative metal-centered configuration, the synthesis of rhodium(III) pyridocarbazole complexes with facially coordinating acyclic tridentate ligands was investigated. A strategy for the rapid synthesis of such complexes is reported, the diastereoselectivities of these reactions were investigated, the structure of several complexes were determined by X-ray crystallography, the high kinetic stability of such complexes in thiol-containing solutions was demonstrated in H-1-NMR experiments, and the protein kinase inhibition ability of this class of complexes was confirmed. It can be concluded that the use of multidentate ligands is currently maybe the most practical strategy to avoid a large number of possible stereoisomers in the course of exploiting octahedral coordination spheres as structural templates for the design of bioactive molecules. (C) 2015 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jinorgbio.2015.01.005

文献信息

• FOLATE DERIVATIVES, USEFUL IN PARTICULAR IN THE CONTEXT OF THE FOLATE ASSAY
  申请人：BIOMERIEUX

  公开号：US20180170934A1

  公开（公告）日：2018-06-21

  Use of a folate derivative to assay in vitro the folate in a sample such as a biological sample.

  使用叶酸衍生物在体外检测样品中的叶酸含量，例如生物样品。
• TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF
  申请人：Babich John W.

  公开号：US20090023787A1

  公开（公告）日：2009-01-22

  One aspect of the invention relates to novel complexes of technetium (Tc) with various heteroaromatic ligands, e.g., pyridyl and imidazolyl ligands, and their use in radiopharmaceuticals for a variety of clinical diagnostic and therapeutic applications. Another aspect of the invention relates to novel pyridyl ligands that form a portion of the aforementioned complexes. Methods for the preparation of the technetium complexes are also described. Another aspect of the invention relates to novel pyridyl ligands based on derivatized lysine, alanine and bis-amino acids for conjugation to small peptides by solid phase synthetic methods. Additionally, the invention relates to methods for imaging regions of a mammal using the complexes of the invention.

  本发明的一个方面涉及与各种杂环芳香族配体（例如吡啶基和咪唑基配体）形成的铼（Tc）的新型络合物，以及它们在临床诊断和治疗应用中的放射性药物中的使用。本发明的另一方面涉及形成前述络合物一部分的新型吡啶基配体。还描述了制备铼络合物的方法。本发明的另一方面涉及基于衍生的赖氨酸，丙氨酸和双氨基酸的新型吡啶基配体，以通过固相合成方法与小肽结合。此外，本发明涉及使用本发明的络合物对哺乳动物的区域进行成像的方法。
• METAL COMPLEXES OF POLY(CARBOXYL)AMINE-CONTAINING LIGANDS HAVING AN AFFINITY FOR CARBONIC ANHYDRASE IX
  申请人：Molecular Insight Pharmaceuticals

  公开号：US20130216477A1

  公开（公告）日：2013-08-22

  The present invention is directed to CA IX inhibitors that conform to Formula I where the substituents X, A, B, D, E, E′ and G are as defined above. Also described are Pt, 64 Cu, 186 Re, 188 Re and 99m Tc metal complexes of Formula I compounds which find use as candidate agents for imaging tumors.

  本发明涉及符合公式I的CA IX抑制剂，其中取代基X、A、B、D、E、E'和G的定义如上所述。还描述了公式I化合物的Pt、64Cu、186Re、188Re和99mTc金属配合物，这些配合物可用作肿瘤成像候选药物。
• Green oxidation catalytic system
  申请人：TRUSTEES OF BOSTON UNIVERSITY

  公开号：US10428043B2

  公开（公告）日：2019-10-01

  Disclosed herein are reaction compositions comprising an oxidation catalyst, a solvent, and a substrate that is dissolved in the solvent. The oxidation catalyst comprises a metal ion complexed with an α-keto acid and a tridentate N,N,O-ligand. Also disclosed herein are methods for oxidizing a C—H bond of a molecule, the methods comprising contacting the molecule with a metal complex comprising a metal ion complexed with a tridentate N,N,O-ligand in the presence of an α-keto acid and a solvent. In some embodiments, the oxidation catalyst or metal complex is linked to a solid support.

  本文公开了由氧化催化剂、溶剂和溶解在溶剂中的底物组成的反应组合物。氧化催化剂由与α-酮酸和三叉N,N,O-配体络合的金属离子组成。本文还公开了氧化分子的 C-H 键的方法，该方法包括使分子与金属络合物接触，该金属络合物包括在 α-酮酸和溶剂存在下与三叉 N，N，O-配体络合的金属离子。在某些实施方案中，氧化催化剂或金属络合物与固体支持物相连。
• Folate derivatives, useful in particular in the context of the folate assay
  申请人：BIOMERIEUX

  公开号：US10640505B2

  公开（公告）日：2020-05-05

  Use of a folate derivative to assay in vitro the folate in a sample such as a biological sample.

  使用叶酸衍生物对生物样本等样品中的叶酸进行体外检测。