3-<2-Hydroxy-propylamino>-propionsaeure, N-<2-Hydroxy-propyl>-β-alanin | 122880-94-8

• 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: 3-<2-Hydroxy-propylamino>-propionsaeure, N-<2-Hydroxy-propyl>-β-alanin
• 英文别名: N-(2-hydroxypropyl)-aminopropionic acid；H2hap；3-(2-Hydroxypropylamino)propanoic acid
• CAS: 122880-94-8
• 化学式: C₆H₁₃NO₃
• mdl: MFCD12178281
• 分子量: 147.174
• InChiKey: BSOVVAYUZPTBAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate trihydrate 、 3-<2-Hydroxy-propylamino>-propionsaeure, N-<2-Hydroxy-propyl>-β-alanin 以 甲醇 为溶剂， 以35%的产率得到[Cu(N-2-hydroxypropyl)-aminopropionate)(NO3)]4
  参考文献：
  名称：

  Ferromagnetic interactions mediated by syn–anti carboxylate bridging in tetranuclear copper(II) compounds

  摘要：

  The tridentate ligand N-(2-hydroxypropyl)aminopropionic acid (H(2)hap) and the tripod ligand nitrilodi(propionic acid) acetic acid (H(3)ndpa) have been synthesised and found to interact with Cu(II) to produce tetranuclear compounds. In the cyclic complex [Cu(Hhap)(NO3)](4) (1), the four Cu(II) centres form a slightly buckled square linked via syn-anti carboxylate bridges. In [Cu-4(ndpa)(2)(H2O)(8)(NO3)(2)].2H(2)O (2), and [Cu-4(ndpa)(2)(H2O)(10)]SO4.6H(2)O (3), two Cu(II) centres are each chelated by a ndpa(3-) ligand which in turn are linked by coordination of the outer carboxylate oxygens on the longer propionate arms of the ligands to two further {Cu(H2O)(3)}(2+) units resulting in a rhomboid array of Cu(II) centres. In the closely related complexes [Cu-4(ndpa)(2)(H2O)(6)Cl-2].4H(2)O (4), and [Cu-4(ndpa)(2)(H2O)(6)Br-2].4H(2)O (5), replacement of one aqua ligand by an outer carboxylate oxygen from the shorter acetate arm of an adjacent complex results in the formation of infinite sheets of linked tetranuclear units. Magnetic studies performed between 1.8 and 300 K on these complexes indicate that ferromagnetic or antiferromagnetic coupling between Cu(II) ions can be observed depending on the geometry of the carboxylate bridging mode. Compound 1 shows a paramagnetic behaviour with a ferromagnetic interaction (J/k(B) = + 3.9 K, S = 2 ground state) between adjacent Cu(II) ions through equatorial-equatorial syn-anti carboxylate bridges. In compound 2, within the rhombus motif ferromagnetic (J(1)/k(B) = + 12.1 K) and antiferromagnetic (J(2)/k(B) = -0.4 K) interactions through syn-anti bridges but in equatorial-equatorial and equatorial-axial modes, respectively, are present. Finally, in the 2-D 4 and 5 the linkage of the rhombus motif, which is isolated in 2, by equatorial-axial anti-anti carboxylate bridges, leads to dominating ferromagnetic interactions (J' = +0.2 K) between the ferromagnetically interacting Cu(II) dimers (J(1) = +8.8 K). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01083-6
• 作为产物：
  描述：

  异丙醇胺 、 丙烯酸 在 吡啶 作用下， 生成 3-<2-Hydroxy-propylamino>-propionsaeure, N-<2-Hydroxy-propyl>-β-alanin
  参考文献：
  名称：

  Syntheses of β-Amino Acids and Their N-Alkyl Derivatives

  摘要：

  DOI：

  10.1021/jo01061a027

文献信息

• FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE
  申请人：AbbVie Inc.

  公开号：US20150210720A1

  公开（公告）日：2015-07-30

  Compounds of formula (I) and pharmaceutically acceptable salts, esters, amides, or radiolabelled forms thereof, wherein R 1 , Z 1 , Z 2 , and n are as defined in the specification, are useful in treating conditions or disorders prevented by or ameliorated by Tropomysin receptor kinases (Trk). Methods for making the compounds are disclosed. Also disclosed are pharmaceutical compositions of compounds of formula (I), and methods for using such compounds and compositions.

  式(I)化合物的药物可接受的盐、酯、酰胺或放射性标记形式，其中R1、Z1、Z2和n如说明书中所定义，可用于治疗通过或通过原肌球蛋白受体激酶(Trk)预防或缓解的病症或障碍。制备这些化合物的方法已被公开。还公开了式(I)化合物的药物组合物，以及使用这些化合物和组合物的方法。
• Compositions of matter having bioactive properties
  申请人：Schmitz, Robert A.

  公开号：EP1288238A1

  公开（公告）日：2003-03-05

  Particles of coordinated complex comprising a basic, hydrous polymer and a capacitance adding compound, as well as methods for their production, are described. These complexes exhibit a high degree of bioactivity making them suitable for a broad range of applications through their incorporation into conventional vehicles benefiting from antimicrobial and similar properties.

  描述了由基础水合聚合物和电容添加化合物组成的协调复合物的颗粒，以及它们的生产方法。这些复合物表现出很高的生物活性，使它们适用于广泛的应用领域，通过将它们纳入传统载体中，从而受益于抗菌和类似性能。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577B1

  公开（公告）日：2018-12-12
• BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Gouliaev Alex Haahr

  公开号：US20130281324A1

  公开（公告）日：2013-10-24

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.