8-bromoisoquinolin-3-yl trifluoromethanesulfonate | 880644-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 8-bromoisoquinolin-3-yl trifluoromethanesulfonate
• 英文别名: (8-bromoisoquinolin-3-yl) trifluoromethanesulfonate
• CAS: 880644-65-5
• 化学式: C₁₀H₅BrF₃NO₃S
• 分子量: 356.12
• InChiKey: YXRBTFISACBTRG-UHFFFAOYSA-N

物化性质

• 沸点：
  418.7±45.0 °C(Predicted)
• 密度：
  1.832±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  8-bromoisoquinolin-3-yl trifluoromethanesulfonate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 tris-(dibenzylideneacetone)dipalladium(0) potassium fluoride 、 三叔丁基膦 、 potassium iodide 、 锌 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 8,8-di-p-anisyl-3,3'-biisoquinoline
  参考文献：
  名称：

  Sterically non-hindering endocyclic ligands of the bi-isoquinoline family

  摘要：

  双异喹啉可用作制备新家族非空间位阻螯合物的结构单元，包括大环系统；八面体三螯合物铁(II)配合物的X射线结构证实了配体的内环性质，这表明这三种螯合物尽管呈新月形，但很容易容纳在金属的配位球中。

  DOI：

  10.1039/b513222c
• 作为产物：
  描述：

  邻溴苄胺 在 吡啶 、 氯化亚砜 、 硫酸 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 32.0h， 生成 8-bromoisoquinolin-3-yl trifluoromethanesulfonate
  参考文献：
  名称：

  Sterically non-hindering endocyclic ligands of the bi-isoquinoline family

  摘要：

  双异喹啉可用作制备新家族非空间位阻螯合物的结构单元，包括大环系统；八面体三螯合物铁(II)配合物的X射线结构证实了配体的内环性质，这表明这三种螯合物尽管呈新月形，但很容易容纳在金属的配位球中。

  DOI：

  10.1039/b513222c

文献信息

• IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS
  申请人：Board of Regents, The University of Texas System

  公开号：US20190298729A1

  公开（公告）日：2019-10-03

  The present disclosure relates to heterocyclic compounds and methods which may be useful as inhibitors of transcription activating proteins such as CBP and P300 for the treatment or prevention of diseases such as proliferative diseases, inflammatory disorders, autoimmune diseases, and fibrotic diseases.

  本公开涉及杂环化合物和方法，这些方法可能作为转录激活蛋白（如CBP和P300）的抑制剂，用于治疗或预防增殖性疾病、炎症性疾病、自身免疫疾病和纤维化疾病。
• IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS
  申请人：Board of Regents, The University of Texas System

  公开号：US20190308978A1

  公开（公告）日：2019-10-10

  The present disclosure relates to heterocyclic compounds and methods which may be useful as inhibitors of transcription activating proteins such as CBP and P300 for the treatment or prevention of diseases such as proliferative diseases, inflammatory disorders, autoimmune diseases, and fibrotic diseases.

  本公开涉及可能用作转录激活蛋白如CBP和P300的抑制剂，用于治疗或预防诸如增殖性疾病、炎症性疾病、自身免疫疾病和纤维化疾病的异环化合物和方法。
• [EN] BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS DE TYPE BICYCLYLARYL-ARYL-AMINE ET LEUR UTILISATION
  申请人：CANCER REC TECH LTD

  公开号：WO2009103966A1

  公开（公告）日：2009-08-27

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain bicyclylaryl-aryl-amines compounds of the following formula (referred to herein as BCAA compounds), which, inter alia, inhibit Checkpoint Kinase 1 (CHK1) kinase function. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK1 kinase function, and in the treatment of diseases and conditions that are mediated by CHK1, that are ameliorated by the inhibition of CHK1 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or II inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionising radiation: (I).

  本发明一般涉及治疗化合物领域，更具体地涉及以下式（以下简称BCAA化合物）的某些双环芳基芳基胺化合物，该化合物在某些情况下抑制检查点激酶1（CHK1）激酶功能。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体内外抑制CHK1激酶功能，并用于治疗由CHK1介导的疾病和症状，通过抑制CHK1激酶功能得到缓解等，包括增殖性疾病如癌症等，可选地与另一药剂组合使用，例如，（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向药物；和（e）电离辐射。
• A New Family of Biisoquinoline Chelates
  作者：Fabien Durola、David Hanss、Pirmin Roesel、Jean-Pierre Sauvage、Oliver S. Wenger

  DOI：10.1002/ejoc.200600796

  日期：2007.1

  characterized. The key feature of this new family of chelates is their endotopic but sterically nonhindering nature. All four ligands were made from a common 8-bromoisoquinolin-3-ol precursor; between three and twelve synthetic steps were necessary to obtain the products. The reported synthetic procedures allow for gram-scale production of these biisoquinolines. (© Wiley-VCH Verlag GmbH & Co. KGaA,

  已合成并表征了四个 8,8'-二芳基取代的 3,3'-二异喹啉配体。这个新螯合物家族的主要特征是它们的内位性，但在空间上无阻碍性。所有四种配体均由常见的 8-溴异喹啉-3-醇前体制成；需要三到十二个合成步骤才能获得产品。报道的合成程序允许这些双异喹啉的克级规模生产。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• 2-AMINOPYRIDINE KINASE INHIBITORS
  申请人：Steinig Arno G.

  公开号：US20090197862A1

  公开（公告）日：2009-08-06

  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Formula I结构的2-氨基吡啶化合物，以及这些化合物的药用可接受的盐。Formula I的化合物抑制动物（包括人类）中的酪氨酸激酶酶活性，并可用于治疗和/或预防各种疾病和病况。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，并可用于治疗增生性疾病，如但不限于癌症。本发明还涉及一种包含Formula I化合物的药物组合物，或其药用可接受的盐，以及药用可接受的载体的药物组合物。本发明还涉及一种通过向患有由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。