(1,2-二甲基-1H-咪唑-5-基)硼酸 | 554453-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (1,2-二甲基-1H-咪唑-5-基)硼酸
• 英文名称: (1,2-Dimethyl-1H-imidazol-5-YL)boronic acid
• 英文别名: (2,3-dimethylimidazol-4-yl)boronic acid
• CAS: 554453-76-8
• 化学式: C₅H₉BN₂O₂
• 分子量: 139.95
• InChiKey: BDDKQPMDNDUVJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.59
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 3-({3-(aminocarbonyl)-7-bromo-4-quinolinyl}amino)benzoate 、 (1,2-二甲基-1H-咪唑-5-基)硼酸 在 四(三苯基膦)钯 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 ethyl 3-{[3-(aminocarbonyl)-7-(1,2-dimethyl-1H-imidazol-5-yl)-4-quinolinyl]amino}benzoate
  参考文献：
  名称：

  Chemical Compounds

  摘要：

  本发明涉及取代喹啉衍生物。具体而言，本发明涉及公式I的化合物：其中R1，R2，R3，R4和R5在此定义。本发明的化合物是乳酸脱氢酶A的抑制剂，可用于治疗癌症和与肿瘤细胞代谢相关的疾病，例如乳腺癌、结肠癌、前列腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制乳酸脱氢酶A活性和治疗与之相关的疾病的方法。

  公开号：

  US20130225524A1

文献信息

• Synthesis and biological activities of novel β-Carbolines as PDE5 inhibitors
  作者：Zhihua Sui、Jihua Guan、Mark J. Macielag、Weiqin Jiang、Yuhong Qiu、Patricia Kraft、Sheela Bhattacharjee、T.Matthew John、Elizabeth Craig、Donna Haynes-Johnson、Joanna Clancy

  DOI：10.1016/s0960-894x(02)01036-3

  日期：2003.2

  A series of N-2-furoyl and N(2)pyrimidinyl beta-carbolines was discovered to possess potent inhibitors activity against PDE5. During the synthesis we developed a tandem resin quenching protocol. which allowed us to synthesize large number of target compounds in a rapid fashion. Representative Compounds exhibit superior selectivity to sildenafil versus other isozymes of PDEs. and demonstrated in vivo efficacy in increasing introcavernosal pressure in dogs. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Chemical Compounds
  申请人：Chai Deping

  公开号：US20130225524A1

  公开（公告）日：2013-08-29

  The invention is directed to substituted quinoline derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined herein. The compounds of the invention are inhibitors of lactate dehydrogenase A and can be useful in the treatment of cancer and diseases associated with tumor cell metabolism, such as cancer, and more specifically cancers of the breast, colon, prostate and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting lactate dehydrogenase A activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代喹啉衍生物。具体而言，本发明涉及公式I的化合物：其中R1，R2，R3，R4和R5在此定义。本发明的化合物是乳酸脱氢酶A的抑制剂，可用于治疗癌症和与肿瘤细胞代谢相关的疾病，例如乳腺癌、结肠癌、前列腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制乳酸脱氢酶A活性和治疗与之相关的疾病的方法。