(R)-Benzyl 3-formylpiperidine-1-carboxylate | 435275-28-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-Benzyl 3-formylpiperidine-1-carboxylate
• 英文别名: benzyl (3R)-3-formylpiperidine-1-carboxylate
• CAS: 435275-28-8
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.29
• InChiKey: QKGTVOXHDCVOAW-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE
  申请人：Heffron Timothy

  公开号：US20120245144A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  本句翻译为中文是：苯并恶唑啉I型化合物，包括立体异构体、几何异构体、互变异构体、代谢物以及药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病如炎症、免疫疾病和癌症是有用的。公开了使用I型化合物公式进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中此类疾病或相关病理状况的方法。
• [EN] BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE<br/>[FR] COMPOSÉS DE BENZOXAZÉPINE SÉLECTIFS POUR PI3K P110 DELTA ET LEURS MÉTHODES D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012126901A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula (I) compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  BenzoxazePIn Formula (I) 化合物，包括立体异构体、几何异构体、互变异构体、代谢物和药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的炎症、免疫性疾病和癌症是有用的。本文还揭示了使用Formula (I) 化合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理情况的方法。
• LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF
  申请人：Aquila Brian M.

  公开号：US20090258901A1

  公开（公告）日：2009-10-15

  One aspect of the present invention relates to heterocyclic compounds. A second aspect of the present invention relates to the use of the heterocyclic compounds as ligands for various mammalian cellular receptors, including dopamine, serotonin, or norepinephrine transporters. The compounds of the present invention will find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, schizophrenia, Parkinson's disease, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, and Tourette's syndrome. An additional aspect of the present invention relates to the synthesis of combinatorial libraries of the heterocyclic compounds, and the screening of those libraries for biological activity, e.g., in assays based on dopamine transporters.

  本发明的一个方面涉及杂环化合物。本发明的第二个方面涉及将杂环化合物用作各种哺乳动物细胞受体的配体，包括多巴胺、血清素或去甲肾上腺素转运体。本发明的化合物将用于治疗许多影响哺乳动物的疾病、状况和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖症、呕吐、精神病、精神分裂症、帕金森病、炎性疼痛、神经痛、Lesche-Nyhane病、威尔逊病和托瑞特综合症。本发明的另一个方面涉及合成杂环化合物的组合库，并对这些库进行生物活性筛选，例如基于多巴胺转运体的测定。
• Novel aminopyrimidine derivatives as PLK1 inhibitors
  申请人：Hashihayata Takashi

  公开号：US20080305081A1

  公开（公告）日：2008-12-11

  The present invention relates to a compound represented by Formula [I]: or a pharmaceutically acceptable salt or ester thereof, wherein R 1 and R 2 , which may be the same or different, are each a hydrogen atom, a lower alkyl group, a cycloalkyl group, or the like; R 3 and R 4 , which may be the same or different, are each a hydrogen atom, a lower alkyl group, NR a R b , a phenyl group, a lower alkyl group substituted with a phenyl group, a 4- to 7-membered aliphatic heterocyclic group, a lower alkyl group substituted with a 4- to 7-membered aliphatic heterocyclic group, a 5- or 6-membered aromatic heterocyclic group, a lower alkyl group substituted with a 5- or 6-membered aromatic heterocyclic group, or the like; and R 5 is a hydrogen atom, a cyano group, a halogen atom, or a lower alkyl group.

  本发明涉及由公式[I]表示的化合物，或其药学上可接受的盐或酯，其中R1和R2（可以相同也可以不同）分别是氢原子、低碳基、环烷基或类似物；R3和R4（可以相同也可以不同）分别是氢原子、低碳基、NRaRb、苯基、带苯基的低碳基、4-至7-成员的脂环杂环基、带4-至7-成员的脂环杂环基的低碳基、5-或6-成员的芳香杂环基、带5-或6-成员的芳香杂环基的低碳基或类似物；R5是氢原子、氰基、卤素原子或低碳基。
• NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2116543A1

  公开（公告）日：2009-11-11

  The present invention relates to a compound represented by Formula [I]: or a pharmaceutically acceptable salt or ester thereof, wherein R1 and R2, which may be the same or different, are each a hydrogen atom, a lower alkyl group, a cycloalkyl group, or the like; R3 and R4, which may be the same or different, are each a hydrogen atom, a lower alkyl group, NRaRb, a phenyl group, a lower alkyl group substituted with a phenyl group, a 4- to 7-membered aliphatic heterocyclic group, a lower alkyl group substituted with a 4- to 7-membered aliphatic heterocyclic group, a 5- or 6-membered aromatic heterocyclic group, a lower alkyl group substituted with a 5- or 6-membered aromatic heterocyclic group, or the like; and R5 is a hydrogen atom, a cyano group, a halogen atom, or a lower alkyl group.

  本发明涉及一种由式 [I] 表示的化合物： 或其药学上可接受的盐或酯，其中R1和R2可以相同或不同，各自为氢原子、低级烷基、环烷基或类似物；R3 和 R4（可以相同或不同）各自是氢原子、低级烷基、NRaRb、苯基、被苯基取代的低级烷基、4-7 元脂肪杂环基、被 4-7 元脂肪杂环基取代的低级烷基、5-或 6 元芳香杂环基、被 5-6 元芳香杂环基取代的低级烷基或类似基团；R5 是氢原子、氰基、卤素原子或低级烷基。