4,4-difluoro-1-methylcyclohexanamine | 1389442-00-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: 4,4-difluoro-1-methylcyclohexanamine
• 英文别名: 4,4-Difluoro-1-methylcyclohexan-1-amine
• CAS: 1389442-00-5
• 化学式: C₇H₁₃F₂N
• mdl: MFCD22548294
• 分子量: 149.184
• InChiKey: HMMITIYMFHIYBL-UHFFFAOYSA-N

物化性质

• 沸点：
  150.3±40.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 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：
  26
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4-difluoro-1-methylcyclohexanamine 、 4-溴-2-溴甲基苯甲酸甲酯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 16.0h， 生成 5-bromo-2-(4,4-difluoro-1-methylcyclohexyl)isoindolin-1-one
  参考文献：
  名称：

  [EN] ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS
  [FR] PYRIDONES PIPÉRIDINYL PYRAZOLO ÉTHYL N-BOC EN TANT QU'INHIBITEURS DE JANUS KINASE

  摘要：

  提供的化合物属于Formula I，作为JAK抑制剂，可用于治疗JAK介导的疾病，如类风湿关节炎、哮喘、慢性阻塞性肺病和癌症。

  公开号：

  WO2016061751A1
• 作为产物：
  描述：

  1,1-difluoro-4-isocyanato-4-methylcyclohexane 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.0h， 生成 4,4-difluoro-1-methylcyclohexanamine
  参考文献：
  名称：

  [EN] ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS
  [FR] PYRIDONES PIPÉRIDINYL PYRAZOLO ÉTHYL N-BOC EN TANT QU'INHIBITEURS DE JANUS KINASE

  摘要：

  提供的化合物属于Formula I，作为JAK抑制剂，可用于治疗JAK介导的疾病，如类风湿关节炎、哮喘、慢性阻塞性肺病和癌症。

  公开号：

  WO2016061751A1

文献信息

• SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY
  申请人：Liu Ningshu

  公开号：US20140011853A1

  公开（公告）日：2014-01-09

  The invention relates to substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones of the formula (Ia) for therapeutic purposes, to pharmaceutical compositions and to their use in therapy, in particular for the prophylaxis and therapy of tumour disorders. The invention also relates to novel compounds of the formula (I) in which W, X, Y, Z, A, B, D and G have the meanings given above, to a plurality of processes and intermediates for their preparation, and to their use as pesticides and/or herbicides and/or fungicides. The invention also relates to selectively herbicidal compositions comprising, firstly, the halogen-substituted spirocyclic ketoenols and, secondly, a crop plant compatibility-improving compound. The present invention furthermore relates to the boosting of the action of crop protection compositions comprising, in particular, halogen-substituted spirocyclic ketoenols, through the addition of ammonium salts or phosphonium salts and optionally penetrants, to the corresponding compositions, to processes for producing them and to their application in crop protection as pesticides and/or fungicides and/or for preventing unwanted plant growth.

  该发明涉及用于治疗目的的取代3-(联苯基-3-基)-8,8-二氟-4-羟基-1-氮杂螺[4.5]癸-3-烯-2-酮（Ia）的化合物，以及药物组合物和它们在治疗中的使用，特别是用于预防和治疗肿瘤疾病。该发明还涉及新化合物（I）的化合物，其中W、X、Y、Z、A、B、D和G具有上述给定的含义，以及用于它们的制备的多种过程和中间体，以及它们作为杀虫剂和/或除草剂和/或杀菌剂的用途。该发明还涉及选择性除草剂组合物，首先包括卤素取代的螺环酮醇，其次包括一种提高作物植物兼容性的化合物。本发明还涉及通过向作物保护组合物中添加铵盐或磷铵盐以及可选的渗透剂，从而提高作物保护组合物的作用，特别是卤素取代的螺环酮醇，以及它们的生产过程和在作物保护中作为杀虫剂和/或杀菌剂和/或用于预防不受欢迎的植物生长的应用。
• SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS
  申请人：Bretschneider Thomas

  公开号：US20140045696A1

  公开（公告）日：2014-02-13

  The invention relates to novel compounds of the formula (I) in which W, X, Y, Z, A, B, D and G have the meanings given above, to a plurality of processes and intermediates for their preparation, and to their use as pesticides and/or herbicides and/or fungicides. The invention also relates to selective herbicidal compositions comprising, firstly, the halogen-substituted spirocyclic ketoenols and, secondly, a crop plant compatibility-improving compound. The present invention furthermore relates to the boosting of the action of crop protection compositions comprising, in particular, halogen-substituted spirocyclic ketoenols, through the addition of ammonium salts or phosphonium salts and optionally penetrants, to the corresponding compositions, to processes for producing them and to their application in crop protection as pesticides and/or fungicides and/or for preventing unwanted plant growth. The invention also relates to substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones of the formula (Ia) for therapeutic purposes, to pharmaceutical compositions and to their use in therapy, in particular for the prophylaxis and therapy of tumor disorders.

  本发明涉及公式（I）的新化合物，其中W，X，Y，Z，A，B，D和G具有上述给定的含义，以及其制备的多种过程和中间体，以及它们作为杀虫剂和/或除草剂和/或杀菌剂的用途。本发明还涉及选择性除草剂组合物，其包括第一，卤代螺环酮烯醇，第二，作物植物相容性改良化合物。本发明还涉及通过向相应的组合物添加铵盐或膦盐和可选的渗透剂，从而提高特别是卤代螺环酮烯醇的作物保护组合物的作用的方法，以及生产它们的过程和它们在作物保护中作为杀虫剂和/或杀菌剂和/或防止不良植物生长的应用。本发明还涉及公式（Ia）的取代3-（联苯基-3-基）-8,8-二氟-4-羟基-1-氮杂螺[4.5]癸-3-烯-2-酮，用于治疗目的，以及制药组合物和它们在治疗中的用途，特别是用于肿瘤疾病的预防和治疗。
• Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10072025B2

  公开（公告）日：2018-09-11

  The instant invention provides compounds of Formula (I) which are JAK inhibitors, and as such are useful for the treatment of JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer. The present invention provides novel compounds which are inhibitors of JAKs. The invention also provides a method for the treatment and prevention of JAK-mediated diseases and disorders using the novel compounds, as well as pharmaceutical compositions containing the compounds.

  本发明提供的式 (I) 化合物是 JAK 抑制剂，因此可用于治疗 JAK 介导的疾病，如类风湿性关节炎、哮喘、慢性阻塞性肺病和癌症。本发明提供了作为 JAK 抑制剂的新型化合物。本发明还提供了一种使用这些新型化合物治疗和预防 JAK 介导的疾病和紊乱的方法，以及含有这些化合物的药物组合物。
• Functionalized 6-(Piperidin-1-yl)-8,9-Diphenyl Purines as Peripherally Restricted Inverse Agonists of the CB1 Receptor
  作者：George Amato、Amruta Manke、Robert Wiethe、Vineetha Vasukuttan、Rodney Snyder、Yun Lan Yueh、Ann Decker、Scott Runyon、Rangan Maitra

  DOI：10.1021/acs.jmedchem.9b00727

  日期：2019.7.11

  Peripherally restricted CB1 receptor antagonists may be useful in treating metabolic syndrome, diabetes, liver diseases, and gastrointestinal disorders. Clinical development of the centrally acting CB1 inverse agonist otenabant (1) was halted due to its potential of producing adverse effects. SAR studies of 1 are reported herein with the objective of producing peripherally restricted analogues, Crystal structures of hCB1 and docking studies with 1 indicate that the piperidine group could be functionalized at the 4-position to access a binding pocket that can accommodate both polar and nonpolar groups. The piperidine is studied as a linker, functionalized with alkyl, heteroalkyl, aryl, and heteroaryl groups using a urea connector. Orally bioavailable and peripherally selective compounds have been produced that are potent inverse agonists of hCB1 with exceptional selectivity for hCB1 over hCB2. Compound 38 blocked alcohol-induced liver steatosis in mice and has good ADME properties for further development.
• ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3209296A1

  公开（公告）日：2017-08-30