4-N-叔丁氧羰基氨基-3-甲氧基苯硼酸 | 669713-95-5

• 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-N-叔丁氧羰基氨基-3-甲氧基苯硼酸
• 英文名称: [4-(tert-butoxycarbonylamino)-3-methoxyphenyl]boronic acid
• 英文别名: 4-n-Boc-amino-3-methoxy-phenylboronic acid；[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
• CAS: 669713-95-5
• 化学式: C₁₂H₁₈BNO₅
• 分子量: 267.09
• InChiKey: PAWJDEHKEKNFAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  88
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-N-叔丁氧羰基氨基-3-甲氧基苯硼酸 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 以130.83 mg的产率得到tert-butyl N-[4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridyl]methyl]-2-methoxyphenyl]carbamate
  参考文献：
  名称：

  [EN] MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS
  [FR] INHIBITEURS DE PROTÉINE KINASE ACTIVÉE PAR MITOGÈNE (MEK)

  摘要：

  The present invention is related to compounds of structure (F) as mitogen-activated protein kinase (MEK) inhibitors. (I) The variables are described herein.

  公开号：

  WO2024010925A2
• 作为产物：
  描述：

  4-(叔丁氧羰氨基)-3-甲氧基苯硼酸频那醇酯 在 sodium periodate 、 potassium acetate 作用下， 以 丙酮 为溶剂， 以330 mg的产率得到4-N-叔丁氧羰基氨基-3-甲氧基苯硼酸
  参考文献：
  名称：

  [EN] MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS
  [FR] INHIBITEURS DE PROTÉINE KINASE ACTIVÉE PAR MITOGÈNE (MEK)

  摘要：

  The present invention is related to compounds of structure (F) as mitogen-activated protein kinase (MEK) inhibitors. (I) The variables are described herein.

  公开号：

  WO2024010925A2

文献信息

• Kinase antagonists
  申请人：Knight A. Zachary

  公开号：US20070293516A1

  公开（公告）日：2007-12-20

  The present invention provides novel compounds that are antagonists of PI3 kinase, PI3 kinase and tryosine kinase, PI3Kinase and mTOR, or PI3Kinase, mTOR and tryosine kinase.

  本发明提供了一种新型化合物，它们是 PI3 激酶、PI3 激酶和酪氨酸激酶、PI3 激酶和 mTOR，或者 PI3 激酶、mTOR 和酪氨酸激酶的拮抗剂。
• Rapid Discovery and Structure–Activity Relationships of Pyrazolopyrimidines That Potently Suppress Breast Cancer Cell Growth via SRC Kinase Inhibition with Exceptional Selectivity over ABL Kinase
  作者：Craig Fraser、John C. Dawson、Reece Dowling、Douglas R. Houston、Jason T. Weiss、Alison F. Munro、Morwenna Muir、Lea Harrington、Scott P. Webster、Margaret C. Frame、Valerie G. Brunton、E. Elizabeth Patton、Neil O. Carragher、Asier Unciti-Broceta

  DOI：10.1021/acs.jmedchem.6b00065

  日期：2016.5.26

  Novel pyrazolopyrimidines displaying high potency and selectivity toward SRC family kinases have been developed by combining ligand-based design and phenotypic screening in an iterative manner. Compounds were derived from the promiscuous kinase inhibitor PP1 to search for analogs that could potentially target a broad spectrum of kinases involved in cancer. Phenotypic screening against MCF7 mammary

  通过以迭代方式结合基于配体的设计和表型筛选，已开发出对 SRC 家族激酶具有高效力和选择性的新型吡唑并嘧啶。化合物来源于混杂激酶抑制剂 PP1，以寻找可能靶向与癌症相关的广谱激酶的类似物。针对 MCF7 乳腺腺癌细胞的表型筛选产生了与靶标无关的结构-活性关系，使后续设计偏向于乳腺癌治疗而不是特定靶标。该策略导致发现了两种具有表型不同抗癌作用模式的强效抗增殖先导物。激酶分析和进一步优化产生了 eCF506，第一个对 SRC 具有亚纳摩尔 IC50 的小分子，需要 3 个数量级的浓度才能抑制 ABL。eCF506 具有出色的水溶性、最佳的 DMPK 特性和口服生物利用度，可阻止斑马鱼胚胎中 SRC 相关的神经丘迁移，而不会引起危及生命的心脏缺陷，并抑制小鼠肿瘤异种移植物中的 SRC 磷酸化。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：UNIV COURT UNIV OF EDINBURGH

  公开号：WO2016185160A1

  公开（公告）日：2016-11-24

  A first aspect of the- invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, (Formula (I)) wherein: R1 is (CH2)mNR11R12;R2 is selected from H, halo, OR13, ΝΗR13, alkyl, alkenyl and alkynyl; R3 is selected from alkyl, alkenyl, alkynyl, aryl, halo, aryloxy, NHCO2R4, NHCONR5R6, NHCOR7, NH-alkyl, NH-alkenyl, NH(CH2);n-aryl, (CH2)p-heteroaryl, (CH2)qCO2R8, (CH2)rCOR9 and NHSO2R10, wherein each alkyl, alkenyl, aryl or heteroaryl moiety in the aforementioned list is optionally further substituted by one or more groups selected from alkyl, halo OH, NH2, alkoxy, aryloxy, alkylamino, arylamino, carboxyl and carboxamide; R4 to R10 and R13 are each independently selected from alkyl, alkenyl and aryl; R11 and R12 are each independently selected from alkyl and alkenyl; or R11 and R:12 are linked together with the nitrogen to which they are attached to form a heterocycloalkyl or heterocycloalkenyl group; n, m, p, q and r are each independently selected from 0, 1, 2,.3. 4, 5 and 6. Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing according to the invention.

  该发明的第一个方面涉及化合物的公式(I)，或其药学上可接受的盐或酯，其中：R1为(CH2)mNR11R12；R2选择自H、卤素、OR13、ΝΗR13、烷基、烯基和炔基；R3选择自烷基、烯基、炔基、芳基、卤素、芳氧基、NHCO2R4、NHCONR5R6、NHCOR7、NH-烷基、NH-烯基、NH(CH2);n-芳基、(CH2)p-杂环芳基、(CH2)qCO2R8、(CH2)rCOR9和NHSO2R10，其中上述列表中的每个烷基、烯基、芳基或杂环芳基都可以选择进一步被来自烷基、卤素、羟基、NH2、烷氧基、芳氧基、烷基氨基、芳基氨基、羧基和羧酰胺的一个或多个基团取代；R4至R10和R13各自独立地选择自烷基、烯基和芳基；R11和R12各自独立地选择自烷基和烯基；或者R11和R12与它们附着的氮一起连接以形成杂环烷基或杂环烯基基团；n、m、p、q和r各自独立地选择自0、1、2、3、4、5和6。进一步方面涉及根据该发明制备的药物组合物、治疗用途和制备方法。
• Substituted azole derivatives, compositions, and methods of use
  申请人：Mjalli M.M. Adnan

  公开号：US20050187277A1

  公开（公告）日：2005-08-25

  The present invention provides azole derivatives of Formula (I), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I), and their use in treating human or animal disorders. The compounds of the invention can be useful as inhibitors of protein tyrosine phosphatases 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.

  本发明提供了式（I）的唑类衍生物，它们的制备方法，包含式（I）化合物的药物组合物以及它们在治疗人类或动物疾病方面的用途。本发明的化合物可用作蛋白酪氨酸磷酸酶的抑制剂，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I型糖尿病和II型糖尿病。
• Substituted Azole Derivatives, Compositions, and Methods of Use
  申请人：Mjalli Adnan M.M.

  公开号：US20110092553A1

  公开（公告）日：2011-04-21

  The present invention provides azole derivatives of Formula (I), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I), and their use in treating human or animal disorders. The compounds of the invention can be useful as inhibitors of protein tyrosine phosphatases 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.

  本发明提供式（I）的唑类衍生物，其制备方法，含有式（I）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用途。本发明的化合物可用作蛋白酪氨酸磷酸酶的抑制剂，因此可用于治疗PTPase活性介导的疾病的管理、治疗、控制或辅助治疗。这些疾病包括1型糖尿病和2型糖尿病。