N-(o-tolyl)piperidin-4-amine | 1183200-00-1

• 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: N-(o-tolyl)piperidin-4-amine
• 英文别名: N-(2-methylphenyl)piperidin-4-amine
• CAS: 1183200-00-1
• 化学式: C₁₂H₁₈N₂
• mdl: MFCD00101443
• 分子量: 190.288
• InChiKey: LADSWAXVIITUMG-UHFFFAOYSA-N

物化性质

• 沸点：
  328.0±35.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(o-tolyl)piperidin-4-amine 在 sodium chloride 作用下， 以 二甲基亚砜 为溶剂， 生成 N-(4-chloro-2-methylphenyl)piperidin-4-amine
  参考文献：
  名称：

  Understanding Flavin-Dependent Halogenase Reactivity via Substrate Activity Profiling

  摘要：

  The activity of four native FDHs and four engineered FDH variants on 93 low-molecular-weight arenes was used to generate FDH substrate activity profiles. These profiles provided insights into how substrate class, functional group substitution, electronic activation, and binding affect FDH activity and selectivity. The enzymes studied could halogenate a far greater range of substrates than have been previously recognized, but significant differences in their substrate specificity and selectivity were observed. Trends between the electronic activation of each site on a substrate and halogenation conversion at that site were established, and these data, combined with docking simulations, suggest that substrate binding can override electronic activation even on compounds differing appreciably from native substrates. These findings provide a useful framework for understanding and exploiting FDH reactivity for organic synthesis.

  DOI：

  10.1021/acscatal.6b02707
• 作为产物：
  描述：

  benzyl 4-(o-tolyl amino)piperidine-1-carboxylate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、103.42 kPa 条件下， 反应 2.0h， 生成 N-(o-tolyl)piperidin-4-amine
  参考文献：
  名称：

  [EN] NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS
  [FR] NOUVEAUX COMPOSÉS ARYLOXYPIPÉRIDINE PYRAZOLE UTILES EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE

  摘要：

  本文介绍了一种公式（I）的化合物，这些化合物是IDO酶的抑制剂：本文还披露了这些化合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。本文还披露了这些组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。

  公开号：

  WO2020041100A1

文献信息

• [EN] UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS<br/>[FR] COMPOSÉS D'URÉE ET LEUR UTILISATION COMME INHIBITEURS DE L'ENZYME FAAH
  申请人：BIAL PORTELA & Cª S A

  公开号：WO2015016728A1

  公开（公告）日：2015-02-05

  A compound having Formula (I): wherein: R1 is selected from hydrogen, halogen, hydroxyl and C1-4 alkoxy; R2 is selected from hydrogen, halogen, hydroxyl and C1-4 alkoxy; R3 is C1-4 alkyl; R4 is aryl which is substituted with a group selected from OSO2NH2, NHCONH2, NHSO2NH2, NHSO2C1-4 alkyl and CONH2; and n is 0 or 1; or a pharmaceutically acceptable salt thereof; provided that the compound is not N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-(sulfamoylamino)phenyl)-1H-imidazole-1-carboxamide or N-(1-benzylpiperidin-4-yl)-N-methyl-4-(3-(methylsulfonamido)phenyl)-1H-imidazole-1-carboxamide. The compound may be used as an inhibitor of fatty acid amide hydrolase.

  具有以下化学式（I）的化合物：其中：R1从氢、卤素、羟基和C1-4烷氧基中选择；R2从氢、卤素、羟基和C1-4烷氧基中选择；R3是C1-4烷基；R4是芳基，其被从OSO2NH2、NHCONH2、NHSO2NH2、NHSO2C1-4烷基和CONH2中选择的基团取代；n为0或1；或其药学上可接受的盐；前提是该化合物不是N-(1-苄基哌啶-4-基)-N-甲基-4-(4-(磺胺氨基)苯基)-1H-咪唑-1-羧酰胺或N-(1-苄基哌啶-4-基)-N-甲基-4-(3-(甲磺酰氨基)苯基)-1H-咪唑-1-羧酰胺。该化合物可用作脂肪酸酰胺水解酶的抑制剂。
• NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE
  申请人：Sundaresan Kumar

  公开号：US20090239810A1

  公开（公告）日：2009-09-24

  The present invention relates to piperidine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A脱饱和酶抑制剂的哌啶衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS
  申请人：BIAL - Portela & Cª S.A.

  公开号：EP3027610A1

  公开（公告）日：2016-06-08
• NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3840747A1

  公开（公告）日：2021-06-30
• US8129376B2
  申请人：——

  公开号：US8129376B2

  公开（公告）日：2012-03-06