2-乙氧基嘧啶-5-硼酸 | 1003043-55-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-乙氧基嘧啶-5-硼酸
• 英文名称: 2-ethoxypyrimidine-5-boronic acid
• 英文别名: (2-ethoxypyrimidin-5-yl)boronic acid
• CAS: 1003043-55-7
• 化学式: C₆H₉BN₂O₃
• mdl: MFCD07375134
• 分子量: 167.96
• InChiKey: VTPBKJXRYUDPAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.28
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  75.5
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2-乙氧基嘧啶-5-硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 2-ethoxy-5-[5-((R)-3-methylpiperazin-1-yl)-2-trifluoromethylthiazol-4-yl]pyrimidine
  参考文献：
  名称：

  [EN] 1-(PIPERAZIN-1-YL)-2-([1,2,4]TRIAZOL-1-YL)-ETHANONE DERIVATIVES
  [FR] DÉRIVÉS DE 1-(PIPÉRAZIN-1-YL)-2-([1,2,4]TRIAZOL-1-YL)-ÉTHANONE

  摘要：

  本发明涉及公式（I）中的化合物，其中X、Y、R1、R2、R3、R4和R5如描述中所述；以及其药学上可接受的盐，以及将这些化合物用作药物，特别是作为CXCR3受体调节剂。

  公开号：

  WO2015011099A1

文献信息

• [EN] AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS<br/>[FR] COMPOSÉS AMINOPYRIMIDINES EN TANT QU'INHIBITEURS DE MUTANTS D'EGFR CONTENANT T790M
  申请人：GENENTECH INC

  公开号：WO2014081718A1

  公开（公告）日：2014-05-30

  This invention relates to novel compounds of formula (I) which are inhibitors of T790M containing EGFR mutants, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy for the prevention or treatment of cancer. (Formula I)

  这项发明涉及公式（I）的新化合物，这些化合物是T790M含有EGFR突变体的抑制剂，涉及含有它们的药物组合物，它们的制备方法，以及它们在预防或治疗癌症中的应用。
• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：Geneste Hervé

  公开号：US20130005705A1

  公开（公告）日：2013-01-03

  The present invention relates to novel carboxamide compounds, pharmaceutical compositions containing them, and their use in therapy. The compounds possess valuable therapeutic properties and are particularly suitable for treating or controlling medical disorders selected from neurological disorders and psychiatric disorders, for ameliorating the symptoms associated with such disorders and for reducing the risk of such disorders.

  本发明涉及新型的氨基甲酸酰胺化合物、含有它们的药物组合物及其在治疗中的应用。这些化合物具有宝贵的治疗特性，特别适用于治疗或控制神经疾病和精神疾病，用于改善与这些疾病相关的症状，并用于降低这些疾病的风险。
• Substituted 6,7-dihydro-5H-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof
  申请人：Sanofi

  公开号：US09714221B1

  公开（公告）日：2017-07-25

  Compounds of formula (I): wherein R1 and R2 represent hydrogen or deuterium atoms; R3 represents a hydrogen atom or a —COOH, a —OH or a —OPO(OH)2 group; R4 represents a hydrogen atom or a fluorine atom; R5 represents a hydrogen atom or a —OH group; wherein at least one of R3 or R5 is different from a hydrogen atom; when R3 represents a —COOH, —OH or —OPO(OH)2 group, then R5 represents a hydrogen atom; when R5 represents a —OH group, then R3 and R4 represent hydrogen atoms; and R6 is selected from an optionally substituted phenyl, heteroaryl, cycloalkyl and heterocycloalkyl group; and the preparation and the therapeutic uses of the compounds of formula (I) as inhibitors and degraders of estrogen receptors, useful especially in the treatment of cancer.

  公式(I)的化合物：其中R1和R2代表氢原子或氘原子；R3代表氢原子或—COOH，—OH或—OPO(OH)2基团；R4代表氢原子或氟原子；R5代表氢原子或—OH基团；其中至少R3或R5不同于氢原子；当R3代表—COOH，—OH或—OPO(OH)2基团时，R5代表氢原子；当R5代表—OH基团时，R3和R4代表氢原子；R6选自可选地取代的苯基、杂芳基、环烷基和杂环烷基团；以及作为雌激素受体的抑制剂和降解剂的公式(I)化合物的制备和治疗方法，特别适用于癌症治疗。
• Design of selective COX-2 inhibitors in the (aza)indazole series. Chemistry, <i>in vitro</i> studies, radiochemistry and evaluations in rats of a [¹⁸F] PET tracer
  作者：Jonathan Elie、Johnny Vercouillie、Nicolas Arlicot、Lucas Lemaire、Rudy Bidault、Sylvie Bodard、Christel Hosselet、Jean-Bernard Deloye、Sylvie Chalon、Patrick Emond、Denis Guilloteau、Frédéric Buron、Sylvain Routier

  DOI：10.1080/14756366.2018.1501043

  日期：2019.1.1

  Abstract A series of novel derivatives exhibiting high affinity and selectivity towards the COX-2 enzyme in the (aza) indazole series was developed. A short synthetic route involving a bromination/arylation sequence under microwave irradiation and direct C–H activation were established in the indazole and azaindazole series respectively. In vitro assays were conducted and structural modifications were

  抽象的 开发了在（氮杂）吲唑系列中对COX-2酶表现出高亲和力和选择性的一系列新型衍生物。分别在吲唑和氮杂吲唑系列中建立了一条简短的合成路线，涉及微波辐射下的溴化/芳基化序列和直接的C–H活化。进行了体外测定，并对这些支架进行了结构修饰，以提供具有有效COX-2抑制活性的化合物16，IC 50值为0.409 µM，相对于COX-1具有优异的选择性。释放硼酸酯后，对这种最有效的衍生物[ 18 F] 16进行了放射性标记，并在体内评估了示踪剂在神经发炎的大鼠模型中。讨论了所有化学，放射化学和生物学实验数据。
• 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。