4-(甲基磺酰基)-2-(三氟甲基)苯硼酸 | 1072946-16-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(甲基磺酰基)-2-(三氟甲基)苯硼酸
• 中文别名: 4-(甲基磺酰基)-2-(三氟甲基)苯基硼酸
• 英文名称: [4-methylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
• 英文别名: 4-(Methylsulfonyl)-2-(trifluoromethyl)phenylboronic acid
• CAS: 1072946-16-7
• 化学式: C₈H₈BF₃O₄S
• 分子量: 268.021
• InChiKey: KRVRNINHXGLIEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  6-bromo-4-N-[3-(dimethylamino)propyl]-2-N-methylthieno[3,2-d]pyrimidine-2,4-diamine 、 4-(甲基磺酰基)-2-(三氟甲基)苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 14.25h， 以24%的产率得到N4-[3-(dimethylamino)propyl]-N2-methyl-6-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
  参考文献：
  名称：

  2,4-Diaminothienopyrimidines as Orally Active Antimalarial Agents

  摘要：

  A novel series of 2,4-diaminothienopyrimidines with potential as antimalarials was identified from whole-cell high-throughput screening of a SoftFocus ion channel library. Synthesis and structure activity relationship studies identified compounds with potent antiplasmodial activity and low in vitro cytotoxicity. Several of these analogues exhibited in vivo activity in the Plasmodium berghei mouse model when administered orally. However, inhibition of the hERG potassium channel was identified as a liability for this series.

  DOI：

  10.1021/jm401760c

文献信息

• BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS
  申请人：Fairfax David John

  公开号：US20140140956A1

  公开（公告）日：2014-05-22

  The present disclosure relates to compounds, which are useful for inhibition of BET protein function by binding to bromodomains, and their use in therapy.

  本公开涉及一种化合物，该化合物通过结合溴结构域来抑制BET蛋白的功能，并且其在治疗中的应用。
• Structure–Activity Relationship Studies of Orally Active Antimalarial 3,5-Substituted 2-Aminopyridines
  作者：Diego González Cabrera、Frederic Douelle、Yassir Younis、Tzu-Shean Feng、Claire Le Manach、Aloysius T. Nchinda、Leslie J. Street、Christian Scheurer、Jolanda Kamber、Karen L. White、Oliver D. Montagnat、Eileen Ryan、Kasiram Katneni、K. Mohammed Zabiulla、Jayan T. Joseph、Sridevi Bashyam、David Waterson、Michael J. Witty、Susan A. Charman、Sergio Wittlin、Kelly Chibale

  DOI：10.1021/jm301476b

  日期：2012.12.27

  In an effort to address potential cardiotoxicity liabilities identified with earlier frontrunner compounds, a number of new 3,5-diaryl-2-aminopyridine derivatives were synthesized. Several compounds exhibited potent antiplasmodial activity against both the multidrug resistant (K1) and sensitive (NF54) strains in the low nanomolar range. Some compounds displayed a significant reduction in potency in

  为了解决由早期先驱化合物鉴定出的潜在心脏毒性问题，合成了许多新的3,5-二芳基-2-氨基吡啶衍生物。几种化合物对低纳摩尔范围内的耐多药（K1）和敏感（NF54）菌株均显示出有效的抗疟原虫活性。与先前报道的领先者类似物相比，某些化合物在hERG通道抑制试验中显示出显着的效力降低。这些新类似物中的几种在伯氏疟原虫小鼠模型中显示出有希望的体内功效，并将进一步评估为潜在的临床候选药物。描绘了体外抗血浆和hERG活性的SAR。
• [EN] MORPHOLINYLPYRIDONE COMPOUNDS<br/>[FR] COMPOSÉS DE MORPHOLINYLPYRIDONE
  申请人：SPRINT BIOSCIENCE AB

  公开号：WO2019038390A1

  公开（公告）日：2019-02-28

  The invention provides novel morpholinylpyridone compounds of formula (I), pharmaceutical compositions containing such compounds, and methods for using such compounds in treatment of diseases including cancer, type II diabetes, inflammatory diseases, autoimmune diseases, neurodegenerative disorders, cardiovascular disorders and viral infections; Formula (I) wherein R1, R2 and A are as defined in the specification.

  本发明提供了一种新型吗啉基吡啶酮化合物（I）的配方，包括这种化合物的制药组合物，以及使用这种化合物治疗癌症、2型糖尿病、炎症性疾病、自身免疫疾病、神经退行性疾病、心血管疾病和病毒感染等疾病的方法；式（I）中，R1、R2和A如规范中所定义。
• SUBSTITUTED PHENYLALANINE DERIVATIVES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160237044A1

  公开（公告）日：2016-08-18

  The invention relates to substituted phenylalanine derivatives and to processes for preparation thereof, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially of cardiovascular disorders and/or severe perioperative blood loss. TRG416065

  本发明涉及取代苯丙氨酸衍生物及其制备方法，以及用于制备治疗和/或预防疾病的药物，特别是心血管疾病和/或严重围手术期失血的药物的使用。TRG416065
• INDOLE DERIVATIVES AS CRAC MODULATORS
  申请人：Alam Muzaffar

  公开号：US20110071150A1

  公开（公告）日：2011-03-24

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 and R 4 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with calcium release-activated calcium channels (CRAC).

  公式I的化合物或其药学上可接受的盐，其中R1、R2、R3和R4的定义如本文所述。还公开了制备该化合物的方法，以及使用该化合物治疗与钙释放激活的钙通道（CRAC）相关的疾病的方法。