2-Hydroxy-3-methoxy-benzyliden-amin | 13664-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-Hydroxy-3-methoxy-benzyliden-amin
• 英文别名: 2-Methoxy-6-(iminomethyl)phenol；2-methanimidoyl-6-methoxyphenol
• CAS: 13664-26-1
• 化学式: C₈H₉NO₂
• 分子量: 151.165
• InChiKey: MBWHMGTWXGNZHW-UHFFFAOYSA-N

物化性质

• 熔点：
  163 °C
• 沸点：
  249.9±50.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-3-methoxy-benzyliden-amin 在 ammonium hydroxide 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 0.08h， 生成 methyl 4-amino-2,6-bis(3-hydroxy-2-methoxyphenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
  参考文献：
  名称：

  O'Callaghan, Conor N.; McMurry, T. Brian H., Journal of Chemical Research, Miniprint, 1988, # 6, p. 1549 - 1569

  摘要：

  DOI：
• 作为产物：
  描述：

  邻香草醛 在 ammonium hydroxide 作用下， 以 乙醚 为溶剂， 以70%的产率得到2-Hydroxy-3-methoxy-benzyliden-amin
  参考文献：
  名称：

  O'Callaghan, Conor N.; McMurry, T. Brian H., Journal of Chemical Research, Miniprint, 1988, # 6, p. 1549 - 1569

  摘要：

  DOI：

文献信息

• Theramutein modulators
  申请人：Housey Gerad M.

  公开号：US20100016298A1

  公开（公告）日：2010-01-21

  This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.

  这项发明涉及的是抑制或激活内源性蛋白变异形式的试剂以及识别这些变异的新方法。特别感兴趣的是那些由突变基因编码的内源性蛋白变异的抑制剂和激活剂，这些变异通常是在暴露于已知是相应未突变内源性蛋白的抑制剂或激活剂的化学试剂之后出现，或者至少是首次被识别为由此类化学试剂引起的。
• Homo- and heterometallic planes, chains and cubanes
  作者：Seán T. Meally、Stephanie M. Taylor、Euan K. Brechin、Stergios Piligkos、Leigh F. Jones

  DOI：10.1039/c3dt51131f

  日期：——

  The synthesis, structural and magnetic characterisation of a family of homo- and heterometallic complexes constructed with the Schiff base ligands 2-iminomethyl-6-methoxy-phenol (L1H) and 2-imino-6-methoxy-phenol (L2H), are discussed. Members include the heterometallic tetranuclear complexes of general formula [Na2M2(X)2(L1)4(Y)2] (where M = FeIII, X = −OMe, Y = NO3− (1) and M = NiII, X = N3− and Y = MeCN (2)), each possessing a butterfly-like topology. We also report the formation of the heterometallic molecular cage [Na3Ni2(L1)6](ClO4) (3) whose metallic skeleton describes a [rare] trigonal bipyramid, the homometallic 1-D coordination polymer [Mn(L1)2(Cl)]n (4), and the tetranuclear cubane clusters [MnIII3MnIV(O)3(OEt)(OAc)3(L1)3] (5) and [Ni4(μ3-OMe)4(L2)4(MeOH)4] (6). Dc and ac magnetic susceptibility studies on complexes 5 and 6 reveal S = 9/2 and S = 4 spin ground states.

  本文讨论了用希夫碱配体 2-iminomethyl-6-methoxy-phenol (L1H) 和 2-imino-6-methoxy-phenol (L2H) 构建的一系列同金属和异金属配合物的合成、结构和磁性特征。其中包括通式为 [Na2M2(X)2(L1)4(Y)2]（其中 M = FeIII、X = -OMe、Y = NO3- (1) 和 M = NiII、X = N3- 和 Y = MeCN (2)）的异金属四核配合物，每个配合物都具有蝴蝶状拓扑结构。我们还报告了异金属分子笼[Na3Ni2(L1)6](ClO4)(3)的形成，其金属骨架描述了一个[稀有]三叉双锥体、同金属一维配位聚合物[Mn(L1)2(Cl)]n (4)，以及四核立方体团簇[MnIII3MnIV(O)3(OEt)(OAc)3(L1)3] (5) 和[Ni4(μ3-OMe)4(L2)4(MeOH)4] (6)。对复合物 5 和 6 进行的直流和交流磁感应强度研究揭示了 S = 9/2 和 S = 4 自旋基态。
• Magnetostructural relationship for μ₂-phenoxido bridged ferric dimers
  作者：Fei Yu、Zi-Heng Cao、Jing-Yuan Ge、Yi-Chen Sun、Zhong-Wen Ouyang、Jing-Lin Zuo、Zhenxing Wang、Mohamedally Kurmoo

  DOI：10.1039/c7dt00110j

  日期：——

  Three Fe(III) dimers, [Fe2(L-H)2]·2CH3CN (1), [Fe2(L-OCH3)2] (2) and [Fe2(L-OC2H5)2]·2CH3CN (3), containing the pentadentate O,N,N,O,O-donor Schiff-base ligands with variable size pendants, were synthesized and structurally characterized. The three ligands were generated in situ from 2-(iminomethyl)phenol, 2-methoxy-6-(iminomethyl)phenol and 2-ethoxy-6-(iminomethyl)phenol, respectively. All three crystal

  三个Fe（III）二聚体，[Fe 2（LH）2 ]·2CH 3 CN（1），[Fe 2（L-OCH 3）2 ]（2）和[Fe 2（L-OC 2 H 5）2合成并结构表征了含有五齿O，N，N，O，O供体席夫碱配体的五齿侧链的]·2CH 3 CN（3）。这三种配体是原位产生的分别由2-（亚氨基甲基）苯酚，2-甲氧基-6-（亚氨基甲基）苯酚和2-乙氧基-6-（亚氨基甲基）苯酚组成。所有三个晶体结构包含铁（的边缘共享八面体中心对称的二聚体III通过一对μ的）离子2个-phenoxido桥。对于1（J = +0.47（1）cm -1，∠Fe–O–Fe = 98.02°）和2（J = +0.86（1）cm -1，∠Fe–O–Fe = 97.17°），但反铁磁性为3（J = -0.72（1）cm -1，∠Fe–O–Fe = 98.53°），这与高场电子顺磁共振相关，揭示了中等磁各向异性d = -0.24（3）厘米-1，È
• THERAMUTEIN MODULATORS
  申请人：Housey, Gerard M.

  公开号：EP3461813A1

  公开（公告）日：2019-04-03

  This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.

  本发明涉及作为内源蛋白质变异形式的抑制剂或激活剂的制剂，以及鉴定这种变异体的新方法。特别令人感兴趣的是由基因突变编码的内源蛋白质变体的抑制剂和激活剂，这种变体往往是在接触已知是相应的未突变内源蛋白质的抑制剂或激活剂的化学制剂后产生的，或至少是在接触这种化学制剂后首次被确定为产生的。
• Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators
  申请人：HMI Medical Innovations, LLC

  公开号：US10018619B2

  公开（公告）日：2018-07-10

  This invention relates to methods of identifying, synthesizing, optimizing and profiling compounds that are inhibitors or activators of proteins, both naturally occurring endogenous proteins as well as certain variant forms of endogenous proteins, and novel methods of identifying such variants. The method accelerates the identification and development of compounds as potential therapeutically effective drugs by simplifying the pharmaceutical discovery and creation process through improvements in hit identification, lead optimization, biological profiling, and rapid elimination of toxic compounds. Implementation results in overall cost reductions in the drug discovery process resulting from the corresponding increases in efficiency.

  本发明涉及鉴定、合成、优化和剖析作为蛋白质抑制剂或激活剂的化合物的方法，这些蛋白质既包括天然存在的内源性蛋白质，也包括内源性蛋白质的某些变体形式，以及鉴定这些变体的新方法。该方法通过改进新药鉴定、先导物优化、生物分析和快速消除有毒化合物，简化了药物发现和创造过程，从而加快了作为潜在治疗药物的化合物的鉴定和开发。该方法的实施可相应提高效率，从而降低药物发现过程的总体成本。