2-<4-Methoxy-phenylamino>-acetamid | 90437-23-3

• 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: 2-<4-Methoxy-phenylamino>-acetamid
• 英文别名: p-Methoxyphenyl glycinamide；2-(4-methoxyanilino)acetamide
• CAS: 90437-23-3
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD09699163
• 分子量: 180.206
• InChiKey: IQTUFVWDVBETET-UHFFFAOYSA-N

物化性质

• 沸点：
  421.2±30.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-<4-Methoxy-phenylamino>-acetamid 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 N-(4-甲氧基苯基)乙二胺
  参考文献：
  名称：

  Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase

  摘要：

  Libraries of nonpurified resorcinol amide derivatives were screened by surface plasmon resonance (SPR) to determine the binding dissociation constant (off-rate, k(d)) for compounds binding to the pyruvate dehydrogenase kinase (PDHK) enzyme. Parallel off-rate measurements against HSP90 and application of structure-based drug design enabled rapid hit to lead progression in a program to identify pan-isoform ATP-competitive inhibitors of PDHK. Lead optimization identified selective sub-100-nM inhibitors of the enzyme which significantly reduced phosphorylation of the E1 alpha subunit in the PC3 cancer cell line in vitro.

  DOI：

  10.1021/acs.jmedchem.6b01478
• 作为产物：
  描述：

  2-(4-甲氧基苯基氨基)乙酸乙酯 在 乙醇 、 氨 作用下， 生成 2-<4-Methoxy-phenylamino>-acetamid
  参考文献：
  名称：

  Halberkann, Chemische Berichte, 1921, vol. 54, p. 1160

  摘要：

  DOI：

文献信息

• Cathepsin K inhibitors
  申请人：Bamberg Timothy Joe

  公开号：US20070032484A1

  公开（公告）日：2007-02-08

  The present invention provides a compound of the Formula: a pharmaceutically acceptable salt, a solvate, or a prodrug thereof, wherein m, n, Ar 1 , R 1 , R 2 , R 3 , R 4 , and R 5 are those defined herein. The present invention also provides methods for using and preparing compounds of Formula I.

  本发明提供了一种公式的化合物： 其药学上可接受的盐、溶剂合物或前药，其中m、n、Ar 1 、R 1 、R 2 、R 3 、R 4 和R 5 如本文所定义。本发明还提供了使用和制备公式I化合物的方法。
• BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Allen Darin

  公开号：US20080207683A1

  公开（公告）日：2008-08-28

  Biaryl-substituted tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  所述的双芳基取代的四氢吡唑吡啶化合物被描述为对半胱氨酸蛋白酶S的调节剂。这些化合物可用于制备药物组合物和治疗由半胱氨酸蛋白酶S活性介导的疾病状态、疾病和病况的方法，如银屑病、疼痛、多发性硬化、动脉粥样硬化和类风湿性关节炎。
• Isoxazole Derivatives and Use Thereof
  申请人：Cho Jeong Woo

  公开号：US20090131336A1

  公开（公告）日：2009-05-21

  Disclosed herein are isoxazole derivaties and uses thereof. Serving as agonists of Wnt, the isoxazole derivatives activate Wnt/β-catenin signaling and thus can be used in the treatment and prevention of diseases related to the signal transduction. Also, pharmaceutically acceptable salts of the isoxazole derivatives are disclosed.

  本文披露了异噁唑衍生物及其用途。作为Wnt的激动剂，异噁唑衍生物激活Wnt/β-连环蛋白信号传导，因此可用于治疗和预防与信号传导相关的疾病。此外，还披露了异噁唑衍生物的药用盐。
• Neurobehavioral investigation and acetylcholinesterase inhibitory activity study for some new coumarin derivatives
  作者：Walaa R. Mahmoud、Yassin M. Nissan、Menna M. Elsawah、Rana H. Refaey、Mai F. Ragab、Kamilia M. Amin

  DOI：10.1016/j.ejmech.2019.111651

  日期：2019.11

  compounds were screened for their acetylcholinesterase inhibitory activity where compound 5b proved to be the most potent AChE inhibitor with (IC50 = 37 nM) compared to tacrine and donepezil (IC50 = 55.0 and 59.0 nM, respectively). Six compounds 2f, 2g, 4b, 5b, 8b and 9b revealed superior activity over donepezil and a conclusive structure activity relationship study was conducted explaining the obtained

  根据两种方案合成了二十四种基于6-氨基香豆素的衍生物。筛选所有化合物的乙酰胆碱酯酶抑制活性，其中与他克林和多奈哌齐相比，化合物5b被证明是最有效的AChE抑制剂（IC50 = 37 nM）（IC50 = 55.0和59.0 nM）。六种化合物2f，2g，4b，5b，8b和9b表现出优于多奈哌齐的活性，并进行了结论性结构活性关系研究，解释了所得结果。此外，研究了化合物2f，4b和5b在体内的神经行为作用。使用多奈哌齐作为参考药物，所有测试的化合物均显示出神经行为实验的改善。另外，化合物2f，4b和5b能够以与多奈哌齐相当的方式减少淀粉样β42的细胞外沉积。通过AChE活性位点中的分子对接以及分子动力学模拟研究，通过计算机对合成化合物的结合模式进行了评估。生成了新合成化合物的药效团模型。
• [EN] ARYLAMINOALKYLAMIDES<br/>[FR] ARYLAMINOALKYLAMIDES
  申请人：NOVARTIS AG

  公开号：WO2000048993A1

  公开（公告）日：2000-08-24

  The invention provides aminoacid-arylaminoalkylamides in which the C-terminal carboxy group of the amino acid is substituted by an arylaminoalkylamino substituent and in which the amino nitrogen atom of the amino acid forms a peptide or pseudopeptide linkage which optionally additionally comprises a -methylene-hetero atom- linker or an additional hetero atom, through which it is directly substituted by aryl, lower alkyl, lower alkenyl, lower alkynyl or heterocyclyl, or a physiologically-acceptable and -cleavable ester of a salt thereof; in particular compounds of formula (I), or a physiologically-acceptable and -cleavable ester or a salt thereof, wherein the symbols are as defined, as cathepsin K inhibitors for use pharmaceutically for therapeutic or prophylactic treatment of diseases or medical conditions in which cathepsin K is implicated.

  本发明提供了氨基酸-芳基氨基烷基酰胺，其中氨基酸的C-末端羧基被芳基氨基烷基氨基取代，且氨基酸的氨基氮原子形成肽或伪肽键，该键可选地还包括一个-亚甲基-杂原子-连接基或一个额外的杂原子，通过该键直接被芳基、低碳基、低烯基、低炔基或杂环基取代，或者是其生理上可接受和可水解的盐的酯；特别是式(I)化合物，或其生理上可接受和可水解的酯或盐，其中符号如定义，作为卡特普西林K抑制剂，用于药物治疗或预防与卡特普西林K有关的疾病或医疗状况。