1-{4-[2-(二甲基氨基)乙氧基]苯基}乙酮 | 2079-49-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-{4-[2-(二甲基氨基)乙氧基]苯基}乙酮
• 英文名称: 1-(4-(2-(dimethylamino)ethoxy)phenyl)ethanone
• 英文别名: 4'-(2-(dimethylamino)ethoxy)acetophenone；1-[4-(2-dimethylamino-ethoxy)-phenyl]-ethanone；1-[4-(2-Dimethylamino-aethoxy)-phenyl]-aethanon；4'-[2-(dimethylamino)ethoxy]acetophenone；4-<2-Dimethylamino-aethoxy>-acetophenon；p-(β-Dimethylaminoethoxy)-acetophenon；1-{4-[2-(Dimethylamino)ethoxy]phenyl}ethan-1-one；1-[4-[2-(dimethylamino)ethoxy]phenyl]ethanone
• CAS: 2079-49-4
• 化学式: C₁₂H₁₇NO₂
• mdl: MFCD01673233
• 分子量: 207.272
• InChiKey: BORAIMRIXNKUFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  1-{4-[2-(二甲基氨基)乙氧基]苯基}乙酮 在 phenyltrimethylammonium tribromide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-bromo-4'-[2-(dimethylamino)ethoxy]-acetophenone
  参考文献：
  名称：

  2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof

  摘要：

  基于2-氨基-4-取代芳基噻唑的化合物展现出ATP利用酶抑制活性，公开了利用展现出ATP利用酶抑制活性的化合物的方法，以及包含展现出ATP利用酶抑制活性的化合物的组合物。

  公开号：

  US20060052416A1
• 作为产物：
  描述：

  二甲氨基氯乙烷盐酸 、 对羟基苯乙酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 1-{4-[2-(二甲基氨基)乙氧基]苯基}乙酮
  参考文献：
  名称：

  2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof

  摘要：

  基于2-氨基-4-取代芳基噻唑的化合物展现出ATP利用酶抑制活性，公开了利用展现出ATP利用酶抑制活性的化合物的方法，以及包含展现出ATP利用酶抑制活性的化合物的组合物。

  公开号：

  US20060052416A1

文献信息

• Pyridylfurans and pyrroles as raf kinase inhibitors
  申请人：——

  公开号：US20040198730A1

  公开（公告）日：2004-10-07

  Compounds and their use as pharmaceuticals particularly as Raf kinase inhibitors for the treatment of neurotraumatic diseases, cancer, chronic neurodegeneration, pain, migraine and cardiac hypertrophy.

  化合物及其作为药物的用途，特别是作为Raf激酶抑制剂用于治疗神经创伤性疾病、癌症、慢性神经退行性疾病、疼痛、偏头痛和心脏肥大。
• SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS
  申请人：Beroza Paul P.

  公开号：US20120101286A1

  公开（公告）日：2012-04-26

  Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides and their salts are tubulin polymerization inhibitors, useful in the treatment of cancer.

  替代的4-氨基-5-苯甲酰基-2-(苯基氨基)噻吩-3-羧腈和替代的4-氨基-5-苯甲酰基-2-(苯基氨基)噻吩-3-羧酰胺及其盐是微管聚合抑制剂，在癌症治疗中有用。
• Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors
  申请人：Beroza Paul P.

  公开号：US08410163B2

  公开（公告）日：2013-04-02

  Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides and their salts are tubulin polymerization inhibitors, useful in the treatment of cancer.

  4-氨基-5-苯甲酰基-2-(苯胺基)噻吩-3-羧腈及其衍生物和4-氨基-5-苯甲酰基-2-(苯胺基)噻吩-3-羧酰胺及其衍生物及其盐是微管聚合抑制剂，可用于治疗癌症。
• Molecular docking, QSAR, pharmacophore modeling, and dynamics studies of some chromone derivatives for the discovery of anti-breast cancer agents against hormone-dependent breast cancer
  作者：Snehal A. Arvindekar、Suraj Mohole、Aishwarya Patil、Pradnya Mane、Aditya Arvindekar、Suraj N. Mali、Bapu Thorat、Ravi Rawat、Shilpa Sharma

  DOI：10.1080/07391102.2023.2190803

  日期：——

  In search of new anti-breast cancer agents, the present study envisaged the design and synthesis of a series of benzopyran-chalcones. All the synthesized compounds were assayed for their in-vitro a...

  为了寻找新的抗乳腺癌药物，本研究设想设计和合成一系列苯并吡喃查耳酮。对所有合成的化合物进行了体外分析...
• Design and synthesis of 1,3-biarylsulfanyl derivatives as new anti-breast cancer agents
  作者：Atul Kumar、Vishwa Deepak Tripathi、Promod Kumar、Lalit Prakash Gupta、Akanksha、Ritu Trivedi、Hemant Bid、V.L. Nayak、Jawed A. Siddiqui、Bandana Chakravarti、Ruchi Saxena、Anila Dwivedi、M.I. Siddiquee、U. Siddiqui、Rituraj Konwar、Naibedya Chattopadhyay

  DOI：10.1016/j.bmc.2011.07.056

  日期：2011.9

  A new series of 1,3-biarylsulfanyl derivatives (homodibenzyl core motif) have been designed and synthesized as new estrogen receptor ligands by chopping benzothiophene core of raloxifene to engender secoraloxifene scaffold. All the synthesized compounds were screened for anti-proliferative, anti-osteoporotic, and anti-implantation activity. Compounds (35, 36) having basic amino anti-estrogenic side chain were exhibiting potential anti-proliferative activity in MCF-7, MDA-MB-231 and ishikawa cell lines. Some of the synthesized compounds having homodibenzyl motif (5, 8, 10) have shown moderate anti-osteoporotic activity. (C) 2011 Elsevier Ltd. All rights reserved.