4-SEC-丁基苯基硼酸 | 850568-56-8

• 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-SEC-丁基苯基硼酸
• 中文别名: 4-仲丁基苯硼酸
• 英文名称: 4-sec-butylphenylboronic acid
• 英文别名: 4-(1-methylpropyl)phenylboronic acid；(4-butan-2-ylphenyl)boronic acid
• CAS: 850568-56-8
• 化学式: C₁₀H₁₅BO₂
• 分子量: 178.039
• InChiKey: CHSPURIZKQPJNH-UHFFFAOYSA-N

物化性质

• 熔点：
  96-100
• 沸点：
  301.2±35.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-SEC-丁基苯基硼酸 在 copper diacetate 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 108.0h， 生成 N⁶-tert-butyloxycarbonyl-9-(4-sec-butylphenyl)adenine
  参考文献：
  名称：

  An efficient one-pot conversion of Boc-protected adenines to N6-ureas

  摘要：

  Treatment of Boc-protected N-9-aryladenines with 1 degrees alkylamines (1.1 equiv) and DMAP (1.1 equiv) in DMF at 80 degrees C in the presence of activated 5 angstrom molecular sieves gave the corresponding N-6-urea derivatives in excellent yields (66-96%). Select derivatives were screened for antiproliferative activity against a panel consisting of L1210, CEM, and HeLa cells. The most potent analogue exhibited selective activity against HeLa cells (IC50 = 11 +/- 1 mu M). (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.10.021

文献信息

• Hydrophobic substituents on isatin derivatives enhance their inhibition against bacterial peptidoglycan glycosyltransferase activity
  作者：Yong Wang、Wing-Lam Cheong、Zhiguang Liang、Lok-Yan So、Kin-Fai Chan、Pui-Kin So、Yu Wai Chen、Wing-Leung Wong、Kwok-Yin Wong

  DOI：10.1016/j.bioorg.2020.103710

  日期：2020.4

  small molecule inhibitor to the hydrophobic region of the membrane-bound bacterial cell wall synthesis enzyme and the plasma membrane. In the present study, a total of 20 new amphiphilic compounds were systematically designed and the relationship between molecular hydrophobicity and the antibacterial activity by targeting at PGT was demonstrated. The in vitro lipid II transglycosylation inhibitory effects

  Moenomycin A是著名的肽聚糖糖基转移酶（PGT）天然产物抑制剂，是一种两亲性大分子，分子量为1583 g / mol，作为药物的生物利用度相对较差。在寻找针对该酶的具有高抑制能力的小分子配体时，我们发现向细菌PGT的基于伊斯汀的抑制剂中添加疏水基团可显着改善其对酶的抑制作用以及其抗菌活性。酶促抑制作用的改善可归因于小分子抑制剂与膜结合细菌细胞壁合成酶和质膜的疏水区更好的结合。在目前的研究中，总共系统地设计了20种新的两亲化合物，并证明了针对PGT的分子疏水性与抗菌活性之间的关系。的研究了化合物II对脂质体E. coli PBP1b和MIC的体外脂质II转糖基化抑制作用（IC 50）。优化的结果包括对MSSA，MRSA 6微克/毫升的MIC值，枯草芽孢杆菌和12微克/ mL的大肠杆菌用靛红衍生物得到5米其具有335克/摩尔的分子量。
• Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors
  申请人：Mjalli M.M. Adnan

  公开号：US20070191385A1

  公开（公告）日：2007-08-16

  The present invention provides imidazole derivatives of Formula (I-IV), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I-IV), and their use in treating human or animal disorders. The compounds of the invention inhibit protein tyrosine phosphatase 1B and thus can be useful for the management, treatment, control, or the adjunct treatment of diseases mediated by PTPase activity. Such diseases include Type I diabetes and Type II diabetes.

  本发明提供了公式（I-IV）的咪唑衍生物，其制备方法，包含公式（I-IV）化合物的制药组合物，并且在治疗人类或动物疾病中的应用。该发明的化合物抑制蛋白酪氨酸磷酸酶1B，因此可以用于管理、治疗、控制或辅助治疗PTPase活性介导的疾病。这些疾病包括1型糖尿病和2型糖尿病。
• Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors
  申请人：MJALLI ADNAN M. M.

  公开号：US20100113331A1

  公开（公告）日：2010-05-06

  The present invention provides imidazole derivatives of Formula (I-IV), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I-IV), and their use in treating human or animal disorders. The compounds of the invention inhibit protein tyrosine phosphatase 1B and thus can be useful for the management, treatment, control, or the adjunct treatment of diseases mediated by PTPase activity. Such diseases include Type I diabetes and Type II diabetes.

  本发明提供了公式（I-IV）的咪唑衍生物，其制备方法，包含公式（I-IV）化合物的制药组合物以及它们在治疗人类或动物疾病中的应用。本发明的化合物抑制蛋白酪氨酸磷酸酶1B，因此可用于管理、治疗、控制或辅助治疗PTPase活性介导的疾病。这些疾病包括1型糖尿病和2型糖尿病。
• HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：KORI Masakuni

  公开号：US20120077799A1

  公开（公告）日：2012-03-29

  Provided is a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof, which has an AMPA (α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor potentiating action. The compound of the present invention is useful as a prophylactic or therapeutic drug for depression, schizophrenia, Alzheimer's disease or attention deficit hyperactivity disorder (ADHD) and the like.

  提供的化合物由公式(I)表示，其中每个符号如规范中所定义，或其盐，具有AMPA（α-氨基-3-羟基-5-甲基-4-异唑烷丙酸）受体增强作用。本发明的化合物可用作预防或治疗抑郁症、精神分裂症、阿尔茨海默病或注意力缺陷多动障碍（ADHD）等疾病的药物。
• Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20120196906A1

  公开（公告）日：2012-08-02

  The present invention provides imidazole derivatives of Formula (I-IV), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I-IV), and their use in treating human or animal disorders. The compounds of the invention inhibit protein tyrosine phosphatase 1B and thus can be useful for the management, treatment, control, or the adjunct treatment of diseases mediated by PTPase activity. Such diseases include Type I diabetes and Type II diabetes.

  本发明提供了公式(I-IV)的咪唑衍生物，其制备方法，包含公式(I-IV)化合物的制药组合物，以及它们在治疗人类或动物疾病方面的应用。本发明的化合物抑制蛋白酪氨酸磷酸酶1B，因此可用于管理、治疗、控制或辅助治疗PTPase活性介导的疾病。这些疾病包括1型糖尿病和2型糖尿病。