[3-羟基-5-(三氟甲基)苯基]硼酸 | 957062-66-7

• 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: [3-羟基-5-(三氟甲基)苯基]硼酸
• 英文名称: (3-hydroxy-5-(trifluoromethyl)phenyl)boronic acid
• 英文别名: 3-borono-5-hydroxybenzotrifluoride；[3-hydroxy-5-(trifluoromethyl)phenyl]boronic acid
• CAS: 957062-66-7
• 化学式: C₇H₆BF₃O₃
• mdl: MFCD09878337
• 分子量: 205.929
• InChiKey: KHBHZULNSZTOAL-UHFFFAOYSA-N

物化性质

• 沸点：
  362.5±52.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  频哪醇 、 [3-羟基-5-(三氟甲基)苯基]硼酸 在 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 72.0h， 生成 [3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-phenoxy]-acetic acid ethyl ester
  参考文献：
  名称：

  NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF

  摘要：

  该发明涉及新型钙感受受体(CaSR)调节三氟甲基苯基环戊烯化合物，其在式(I)中表示及其衍生物，用作药物的这些化合物，用于治疗的这些化合物，含有这些化合物的药物组合物，使用这些化合物治疗疾病的方法，以及使用这些化合物制造药物。

  公开号：

  US20120129926A1

文献信息

• Discovery of substituted 3H-pyrido[2,3-d]pyrimidin-4-ones as potent, biased, and orally bioavailable sst2 agonist
  作者：Jian Zhao、Zhiyong Chen、Ana Karin Kusnetzow、Julie Nguyen、Elizabeth Rico-Bautista、Hannah Tan、Stephen F. Betz、R. Scott Struthers、Yunfei Zhu

  DOI：10.1016/j.bmcl.2020.127496

  日期：2020.11

  The discovery of a novel 3H-pyrido[2,3-d]pyrimidin-4-one series as potent and biased sst2 agonists is described. This class of molecules exhibits excellent sst2 potency and selectivity against sst1, sst3, and sst5 receptors, and they are significantly more potent at inhibiting cAMP production than inducing internalization. The orally bioavailable 6-(3-chloro-5-methylphenyl)-3-(3-fluoro-5-hydroxyph

  描述了新型3 H-吡啶并[2,3-d]嘧啶-4-酮系列作为有效和偏向的sst2激动剂的发现。这类分子对sst1，sst3和sst5受体表现出出色的sst2效能和选择性，与抑制内在作用相比，它们在抑制cAMP产生上的作用明显更强。口服生物可用的6-（3-氯-5-甲基苯基）-3-（3-氟-5-羟基苯基）-5-（甲基[（2 S）-吡咯烷基-2-基甲基]氨基}甲基）-3 H，4 H-吡啶并[2,3-d]嘧啶-4-酮（36）也以剂量依赖性方式抑制GHRH攻击的大鼠中的GH分泌。
• 1H-imidazo[4,5-c]quinolinone derivatives
  申请人：Furet Pascal

  公开号：US08476294B2

  公开（公告）日：2013-07-02

  The invention relates to the use of 1H-imidazo[4,5-c]quinolinone derivatives and salts thereof in the treatment of protein and/or lipid kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases; 1H-imidazo[4,5-c]quinolinone derivatives for use in the treatment of protein and/or lipid kinase dependent diseases; a method of treatment against said diseases, comprising administering the 1H-imidazo[4,5-c]quinolinone derivatives to a warm-blooded animal, especially a human; pharmaceutical preparations comprising an 1H-imidazo[4,5-c]quinolinone derivative, especially for the treatment of a protein and/or lipid kinase dependent disease; novel 1H-imidazo[4,5-c]quinolinone derivatives; and a process for the preparation of the novel 1H-imidazo[4,5-c]quinolinone derivatives.

  本发明涉及使用1H-咪唑[4,5-c]喹啉酮衍生物及其盐治疗蛋白质和/或脂质激酶依赖性疾病，以及用于制造治疗该等疾病的药物制剂；1H-咪唑[4,5-c]喹啉酮衍生物用于治疗蛋白质和/或脂质激酶依赖性疾病；一种治疗上述疾病的方法，包括向温血动物，特别是人类，给予1H-咪唑[4,5-c]喹啉酮衍生物；包含1H-咪唑[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新颖的1H-咪唑[4,5-c]喹啉酮衍生物；以及制备新颖的1H-咪唑[4,5-c]喹啉酮衍生物的方法。
• 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES
  申请人：Furet Pascal

  公开号：US20140005163A1

  公开（公告）日：2014-01-02

  The invention relates to the use of 1H-imidazo[4,5-c]quinolinone derivatives and salts thereof in the treatment of protein and/or lipid kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases; 1H-imidazo[4,5-c]quinolinone derivatives for use in the treatment of protein and/or lipid kinase dependent diseases; a method of treatment against said diseases, comprising administering the 1H-imidazo[4,5-c]quinolinone derivatives to a warm-blooded animal, especially a human; pharmaceutical preparations comprising an 1H-imidazo[4,5-c]quinolinone derivative, especially for the treatment of a protein and/or lipid kinase dependent disease; novel 1H-imidazo[4,5-c]quinolinone derivatives; and a process for the preparation of the novel 1H-imidazo[4,5-c]quinolinone derivatives.

  本发明涉及使用1H-咪唑[4,5-c]喹啉酮衍生物及其盐治疗蛋白质和/或脂质激酶依赖性疾病，并用于制备治疗该类疾病的药物制剂；使用1H-咪唑[4,5-c]喹啉酮衍生物治疗蛋白质和/或脂质激酶依赖性疾病；一种治疗该类疾病的方法，包括向温血动物，特别是人类，给予1H-咪唑[4,5-c]喹啉酮衍生物；包含1H-咪唑[4,5-c]喹啉酮衍生物的药物制剂，特别用于治疗蛋白质和/或脂质激酶依赖性疾病；新型1H-咪唑[4,5-c]喹啉酮衍生物；以及制备新型1H-咪唑[4,5-c]喹啉酮衍生物的方法。
• INDOLIZINE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS
  申请人：CHIESI FARMACEUTICI S.P.A.

  公开号：US20150361100A1

  公开（公告）日：2015-12-17

  Compounds of formula (I), defined herein, inhibit phosphoinositide 3-kinases (PI3K) and are useful for the treatment of disorders associated with PI3K enzymes.

  式(I)的化合物，在此定义下，抑制磷脂酰肌醇3-激酶（PI3K）并且可用于治疗与PI3K酶相关的疾病。
• PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS
  申请人：ALMIRALL, S.A.

  公开号：US20150291595A1

  公开（公告）日：2015-10-15

  New pyrrolotriazinone derivatives having the chemical structure of Formula (I) are disclosed; as well as process for theft preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks).

  本发明揭示了具有化学结构式（I）的新吡咯三唑酮衍生物；以及其制备过程，包括它们的药物组合物和它们作为磷脂酰肌醇3-激酶（PI3Ks）抑制剂在治疗中的用途。