3-methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzofuran | 1072811-97-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzofuran
• 英文别名: 4,4,5,5-Tetramethyl-2-(3-methylbenzofuran-2-yl)-1,3,2-dioxaborolane；4,4,5,5-tetramethyl-2-(3-methyl-1-benzofuran-2-yl)-1,3,2-dioxaborolane
• CAS: 1072811-97-2
• 化学式: C₁₅H₁₉BO₃
• 分子量: 258.125
• InChiKey: LVCBETYCGFMLNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  31.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzofuran 、 3-bromo-6-[3-(methylsulfonyl)propoxy]imidazo[1,2-b]pyridazine 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.0h， 以18 mg的产率得到US9320737, III.7
  参考文献：
  名称：

  [EN] SUBSTITUTED IMIDAZOPYRIDAZINES
  [FR] IMIDAZOPYRIDAZINES SUBSTITUÉES

  摘要：

  本发明涉及通式(I)的取代咪唑吡啶并化合物，其中A、Q、R1、R3、R4和n如权利要求中所定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用时，用于治疗或预防过度增殖和/或血管生成紊乱的疾病。

  公开号：

  WO2013041634A1
• 作为产物：
  描述：

  3-甲基苯并呋喃 、 联硼酸频那醇酯 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 4,4'-二叔丁基-2,2'-二吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 3-methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzofuran
  参考文献：
  名称：

  [EN] SUBSTITUTED IMIDAZOPYRIDAZINES
  [FR] IMIDAZOPYRIDAZINES SUBSTITUÉES

  摘要：

  本发明涉及通式(I)的取代咪唑吡啶并化合物，其中A、Q、R1、R3、R4和n如权利要求中所定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用时，用于治疗或预防过度增殖和/或血管生成紊乱的疾病。

  公开号：

  WO2013041634A1

文献信息

• Fused bicyclic mTOR inhibitors
  申请人：Chen Xin

  公开号：US20070112005A1

  公开（公告）日：2007-05-17

  Compounds represented by Formula (I) or a pharmaceutically acceptable salt thereof, are inhibitors of mTOR and useful in the treatment of cancer.

  公式(I)所代表的化合物或其药学上可接受的盐，是mTOR的抑制剂，可用于癌症的治疗。
• Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors
  申请人：Buck A. Elizabeth

  公开号：US20070280928A1

  公开（公告）日：2007-12-06

  The present invention provides a method for treating NSCL, pancreatic, colon or breast cancer tumors or tumor metastases in a patient, comprising administering to the patient simultaneously or sequentially a therapeutically effective amount of a combination of an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors, wherein the agent is an mTOR inhibitor, with or without additional agents or treatments, such as other anti-cancer drugs or radiation therapy. The present invention also provides a method for treating tumors or tumor metastases in a patient, comprising administering to said patient simultaneously or sequentially a therapeutically effective amount of a combination of an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors, wherein said agent is an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases. The present invention also provides a pharmaceutical composition comprising an EGFR kinase inhibitor and an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases, in a pharmaceutically acceptable carrier. A preferred example of an EGFR kinase inhibitor that can be used in practicing the methods of this invention is the compound erlotinib HCl (also known as TARCEVA®).

  本发明提供了一种治疗患有非小细胞肺癌、胰腺癌、结肠癌或乳腺癌肿瘤或转移瘤的患者的方法，包括同时或顺序给患者施用治疗有效量的EGFR激酶抑制剂和一种使肿瘤细胞对EGFR激酶抑制剂产生敏感作用的药物，其中该药物为mTOR抑制剂，可以加入其他抗癌药物或放疗等额外的药物或治疗方法。本发明还提供了一种治疗患者肿瘤或转移瘤的方法，包括同时或顺序给患者施用治疗有效量的EGFR激酶抑制剂和一种使肿瘤细胞对EGFR激酶抑制剂产生敏感作用的药物，其中该药物为一种mTOR抑制剂，可结合并直接抑制mTORC1和mTORC2激酶。本发明还提供了一种制药组合物，包括一种EGFR激酶抑制剂和一种可结合并直接抑制mTORC1和mTORC2激酶的mTOR抑制剂，以及药学上可接受的载体。本发明中可用于实施方法的EGFR激酶抑制剂的首选示例是化合物依洛替尼盐酸盐（也称为TARCEVA®）。
• Combination anti-cancer therapy
  申请人：Bhagwat Shripad

  公开号：US20090274698A1

  公开（公告）日：2009-11-05

  The present invention provides a method for treating tumors or tumor metastases in a patient, comprising administering to said patient simultaneously or sequentially a therapeutically effective amount of a combination of an anti-cancer agent or treatment that elevates pAkt levels in tumor cells and an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases. Examples of such anti-cancer agents or treatments include doxorubicin, cisplatin, or ionizing radiation. The present invention also provides a pharmaceutical composition comprising an anti-cancer agent or treatment that elevates pAkt levels in tumor cells and an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases, in a pharmaceutically acceptable carrier. The present invention also provides a method for treating tumors or tumor metastases in a patient, comprising administering to said patient simultaneously or sequentially a therapeutically effective amount of a combination of the anti-cancer agent melphalan or 5-FU, and an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases.

  本发明提供了一种治疗患者肿瘤或肿瘤转移的方法，包括同时或顺序给患者施用抗癌药物或提高肿瘤细胞pAkt水平的治疗剂量和结合并直接抑制mTORC1和mTORC2激酶的mTOR抑制剂。这样的抗癌药物或治疗剂包括多柔比星、顺铂或电离辐射。本发明还提供了一种药物组合，包括抗癌药物或提高肿瘤细胞pAkt水平的治疗剂量和结合并直接抑制mTORC1和mTORC2激酶的mTOR抑制剂，以及药学上可接受的载体。本发明还提供了一种治疗患者肿瘤或肿瘤转移的方法，包括同时或顺序给患者施用治疗剂量的抗癌药物美法仑或5-FU和结合并直接抑制mTORC1和mTORC2激酶的mTOR抑制剂。
• FUSED BICYCLIC mTOR INHIBITORS
  申请人：Chen Xin

  公开号：US20100099679A1

  公开（公告）日：2010-04-22

  Compounds represented by Formula (I) or a pharmaceutically acceptable salt thereof, are inhibitors of mTOR and useful in the treatment of cancer.

  公式（I）所代表的化合物或其药学上可接受的盐，是mTOR的抑制剂，可用于癌症的治疗。
• 2-aminopyridine kinase inhibitors
  申请人：OSI Pharmaceuticals, LLC

  公开号：US08178668B2

  公开（公告）日：2012-05-15

  2-Aminopyridine compounds having the structure of Formula I, and pharmaceutically acceptable salts of these compounds. Compounds of Formula I inhibit the activity of tyrosine kinase enzymes in animals, including humans, and are useful in the treatment and/or prevention of various diseases and conditions. In particular, compounds disclosed herein are inhibitors of kinases, in particular, but not limited to, KDR, Tie-2, Flt3, FGFR3, Ab1, Aurora A, c-Src, IGF-1R, ALK, c-MET, RON, PAK1, PAK2, and TAK1, and can be used in the treatment of proliferative diseases, such as, but not limited to, cancer. The present invention is also directed to a pharmaceutical composition comprising a therapeutically effective amount of a compound of Formula I, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The present invention is further directed to a method of treating a patient having a condition which is mediated by protein kinase activity by administering to the patient a therapeutically effective amount of the above-mentioned pharmaceutical composition.

  具有I式结构的2-氨基吡啶化合物，以及这些化合物的药学上可接受的盐。I式化合物抑制动物（包括人类）中的酪氨酸激酶酶活性，并在治疗和/或预防各种疾病和病况方面有用。特别地，本文披露的化合物是激酶抑制剂，特别是但不限于KDR，Tie-2，Flt3，FGFR3，Ab1，Aurora A，c-Src，IGF-1R，ALK，c-MET，RON，PAK1，PAK2和TAK1，并可用于治疗增殖性疾病，例如但不限于癌症。本发明还涉及一种制备药物组合物的方法，该组合物包括I式化合物或其药学上可接受的盐的治疗有效量以及药学上可接受的载体。本发明还涉及一种通过向患有蛋白激酶活性介导的病症的患者投与上述药物组合物的治疗方法。