4-(三氟甲基)哌啶-4-醇盐酸盐 | 1193389-14-8

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-(三氟甲基)哌啶-4-醇盐酸盐
• 英文名称: 4-(trifluoromethyl)piperidin-4-ol hydrochloride
• 英文别名: 4-(trifluoromethyl)piperidin-4-ol;hydrochloride
• CAS: 1193389-14-8
• 化学式: C₆H₁₀F₃NO*ClH
• mdl: MFCD12755740
• 分子量: 205.608
• InChiKey: SEMYWYQWMQFKTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  AG221中间体C 、 4-(三氟甲基)哌啶-4-醇盐酸盐 在 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 4-(4-trifluoromethyl-4-hydroxypiperidin-1-yl)-6-(6-(trifluoromethyl) pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  CHEMICAL COMPOUND OF ISOCITRATE DEHYDROGENASE INHIBITOR, AND APPLICATION THEREOF

  摘要：

  公开号：

  EP3489230B1

文献信息

• [EN] TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS<br/>[FR] TÉTRAAZA-CYCLOPENTA[A]INDÉNYLE ET LEUR UTILISATION EN TANT QUE MODULATEURS ALLOSTÉRIQUES POSITIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2013091773A1

  公开（公告）日：2013-06-27

  The present invention provides compounds of Formula (I) as M1 receptor positive allosteric modulators for the treatment of diseases mediated by the muscarinic M1 mediator.

  本发明提供了式(I)化合物，作为M1受体阳性异构调节剂，用于治疗由毒蕈碱M1介质介导的疾病。
• [EN] BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE<br/>[FR] BENZOXAZÉPINES COMME INHIBITEURS DE PI3K/M TOR, MÉTHODES D'UTILISATION ET DE FABRICATION BENZOXAZEPINES AS INHIBITORS OF PI3K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE
  申请人：EXELIXIS INC

  公开号：WO2010138487A1

  公开（公告）日：2010-12-02

  The invention is directed to Compounds of Formula (I): the invention provides compounds that inhibit, regulate, and/or modulate P13K and/or mTOR that are useful in the treatment of hyperproliferative diseases, such as cancer, in mammals. This invention also provides methods of making the compound methods of using such compounds in the treatment of hyperproliferative diseases in mammals, especially humans, and to pharmaceutical compositions containing such compounds. For example, cancer in which activity against PI3fC-alph mTOR, or both contributes to its pathology and/or symptomatology include breast cancer mantle cell lymphoma, renal cell carcinoma, acute myelogenous leukemia, chronic myelogenous leukemia, NPM/ALK- transformed anaplastic large cell lymphoma, diffu large B cell lymphoma, rhabdomyosarcoma, ovarian cancer, endometrial cancer, cervic cancer, non small cell lung carcinoma, small cell lung carcinoma, adenocarcinoma, col cancer, rectal cancer, gastric carcinoma, hepatocellular carcinoma, melanoma, pancreat cancer, prostate carcinoma, thyroid carcinoma, anaplastic large cell lymphoma, hemangiom glioblastoma, or head and neck cancer.

  这项发明涉及式(I)的化合物：该发明提供了抑制、调节和/或调节P13K和/或mTOR的化合物，这些化合物在治疗哺乳动物的高增殖性疾病，如癌症，方面非常有用。该发明还提供了制备该化合物的方法，以及在治疗哺乳动物，特别是人类的高增殖性疾病中使用这些化合物的方法，以及含有这些化合物的药物组合物。例如，对PI3fC-α mTOR或两者都具有活性有助于其病理学和/或症状学的癌症包括乳腺癌、套细胞淋巴瘤、肾细胞癌、急性髓细胞白血病、慢性髓细胞白血病、NPM/ALK转化的间变性大细胞淋巴瘤、弥漫性大B细胞淋巴瘤、横纹肌肉瘤、卵巢癌、子宫内膜癌、宫颈癌、非小细胞肺癌、小细胞肺癌、腺癌、结肠癌、直肠癌、胃癌、肝细胞癌、黑色素瘤、胰腺癌、前列腺癌、甲状腺癌、间变性大细胞淋巴瘤、血管瘤、胶质母细胞瘤或头颈癌。
• [EN] CYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS CYCLIQUES ET LEURS UTILISATIONS
  申请人：KARYOPHARM THERAPEUTICS INC

  公开号：WO2016100515A1

  公开（公告）日：2016-06-23

  The invention generally relates to substituted benzothiophenyl, substituted benzothiazolyl, substituted indolyl and substituted benzoimidazolyl compounds and, more particularly, to a compound represented by Structural Formula I: or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula I, or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of a disease or disorder selected from cancer (e.g., lymphoma, such as mantle cell lymphoma), a neurodegenerative disease, inflammatory diseases or an autoimmune system disease (e.g., a T-Cell mediated autoimmune disesase).

  该发明通常涉及取代苯并噻吩基、取代苯并噻唑基、取代吲哚基和取代苯并咪唑基化合物，更具体地，涉及一种由结构式I表示的化合物或其药学上可接受的盐，其中变量如本文所定义和描述。该发明还包括合成和使用结构式I的化合物，或其药学上可接受的盐或组合物，例如，在治疗癌症（例如淋巴瘤，如袍细胞淋巴瘤）、神经退行性疾病、炎症性疾病或自身免疫系统疾病（例如T细胞介导的自身免疫疾病）中的应用。
• Discovery of Rogaratinib (BAY 1163877): a pan-FGFR Inhibitor
  作者：Marie-Pierre Collin、Mario Lobell、Walter Hübsch、Dirk Brohm、Hartmut Schirok、Rolf Jautelat、Klemens Lustig、Ulf Bömer、Verena Vöhringer、Mélanie Héroult、Sylvia Grünewald、Holger Hess-Stumpp

  DOI：10.1002/cmdc.201700718

  日期：2018.3.6

  Rogaratinib (BAY 1163877) is a highly potent and selective small‐molecule pan‐fibroblast growth factor receptor (FGFR) inhibitor (FGFR1–4) for oral application currently being investigated in phase 1 clinical trials for the treatment of cancer. In this publication, we report its discovery by de novo structure‐based design and medicinal chemistry optimization together with its pharmacokinetic profile

  Rogaratinib（BAY 1163877）是一种高效的选择性小分子泛成纤维细胞生长因子受体（FGFR）抑制剂（FGFR1-4），目前正在口服1期临床试验中进行治疗。在本出版物中，我们报告了通过从头开始的基于结构的设计和药物化学优化以及其药代动力学特征发现的发现。
• [EN] LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LYSYL OXYDASE-LIKE 2 ET UTILISATIONS DESDITS INHIBITEURS
  申请人：PHARMAKEA INC

  公开号：WO2017003862A1

  公开（公告）日：2017-01-05

  Described herein are compounds that are LOXL2 inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with LOXL2 activity.

  本文描述了一些是LOXL2抑制剂的化合物，制备这些化合物的方法，包含这些化合物的制药组合物和药物，以及使用这些化合物治疗与LOXL2活性相关的疾病、病症或疾病的方法。