3-(N-甲基哌啶基)吲哚 | 17403-07-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 3-(N-甲基哌啶基)吲哚
• 中文别名: 3-(1-甲基-4-哌啶)吲哚
• 英文名称: 3-(1-methylpiperidin-4-yl)-1H-indole
• 英文别名: 3-(1-methyl-piperidin-4-yl)-indole；3-(1-Methyl-4-piperidinyl)-1H-indole；3-(1-Methylpiperid-4-yl)-indol
• CAS: 17403-07-5
• 化学式: C₁₄H₁₈N₂
• mdl: MFCD07776765
• 分子量: 214.31
• InChiKey: KYSCKYJNMTUJPA-UHFFFAOYSA-N

物化性质

• 熔点：
  178-180°C
• 沸点：
  373.4±35.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  19
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-(N-甲基哌啶基)吲哚 、 4-氟苯磺酰氯 生成 1-(4-Fluorophenylsulfonyl)-3-(1-methyl-4-piperidinyl)indole
  参考文献：
  名称：

  Piperidine-indole compounds having 5-HT.sub.6 affinity

  摘要：

  本文描述了对5-HT.sub.6受体具有亲和力的化合物，其具有以下通式：其中：R.sup.1选自H和C.sub.1-4烷基的群组；R.sup.2选自H、C.sub.1-4烷基和苄基的群组；——表示单键或双键；R.sup.3选自COR.sup.5和SO.sub.2R.sup.5的群组；R.sup.4a选自H、OH、卤素、C.sub.1-4烷基和C.sub.1-4烷氧基的群组；R.sup.4b选自H、羟基、卤素、C.sub.3-7环烷氧基、C.sub.1-4烷氧基、C.sub.1-4烷基、苄氧基、苯氧基、三氟甲基、三氟甲氧基和乙烯基的群组；R.sup.4c选自H、OH、卤素、C.sub.1-4烷基和C.sub.1-4烷氧基的群组；R.sub.4d选自H、OH、卤素、C.sub.1-4烷基和C.sub.1-4烷氧基的群组；R.sup.5选自苯基、吡啶基、噻吩基、喹啉基和萘基，其中可以选用1-4个从C.sub.1-4烷氧基、C.sub.1-4烷基、卤素、硝基、三氟甲基、三氟甲氧基、1,2-亚甲二氧基、C.sub.1-4烷基羰基、C.sub.1-4烷氧基羰基和C.sub.1-4烷基S--中选择的取代基。还描述了这些化合物作为药物治疗5-HT.sub.6受体受到抑制的疾病，如精神分裂症的用途。

  公开号：

  US06133287A1
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 在 Rh(acac)2(CO)2 硫酸 、 氢气 、 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 20.0~100.0 ℃ 、6.0 MPa 条件下， 反应 72.5h， 生成 3-(N-甲基哌啶基)吲哚
  参考文献：
  名称：

  Synthesis of Pharmacologically Relevant Indoles with Amine Side Chains via Tandem Hydroformylation/Fischer Indole Synthesis

  摘要：

  The sequence of hydroformylation and Fischer indole synthesis starting from amino olefins and aryl hydrazines is described. In a convergent manner, the two units bearing pharmacologically relevant substituents are assembled in the final indolization step. This modular and diversity-oriented approach to tryptamines and homotryptamines can be conducted in water and allows synthesis of branched and nonbranched tryptamines as well as tryptamine-based pharmaceuticals such as the 5-HT1D agonist L 775 606.

  DOI：

  10.1021/jo050464l

文献信息

• Observations concerning the synthesis of tryptamine homologues and branched tryptamine derivatives via the borrowing hydrogen process: synthesis of psilocin, bufotenin, and serotonin
  作者：Silvia Bartolucci、Michele Mari、Giovanni Di Gregorio、Giovanni Piersanti

  DOI：10.1016/j.tet.2016.03.007

  日期：2016.5

  Observations concerning the synthesis of substituted tryptamine derivatives starting from indoles and 1,n-amino alcohols via the borrowing hydrogen process are discussed. This catalytic, single-step, and modular approach to tryptamines and homotryptamines allows the synthesis of branched and nonbranched tryptamines as well as tryptamine-based natural products such as psilocin, bufotenin, and serotonin

  讨论了有关通过借位氢过程从吲哚和1，n-氨基醇开始合成取代的色胺衍生物的观察。这种催化，一步一步和模块化的类固醇胺和高类色胺胺方法可以合成支链和非支链的类固醇胺以及基于类固醇胺的天然产物，例如psilocin，丁苯丁宁和5-羟色胺。
• Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments
  申请人：Esteve Laboratorios Dr. Esteve S.A.

  公开号：EP1676841A1

  公开（公告）日：2006-07-05

  The present invention relates to substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds of general formula I, a process for their preparation, medicaments comprising said substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds as well as the use of said substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds for the preparation of medicaments, which are particularly suitable for the prophylaxis and/or treatment of disorders or diseases that are at least partially mediated via 5-HT6 receptors.

  本发明涉及通式I的取代吲唑磺胺基和2,3-二氢吲唑磺胺基化合物，其制备方法，包含所述取代吲唑磺胺基和2,3-二氢吲唑磺胺基化合物的药物，以及利用所述取代吲唑磺胺基和2,3-二氢吲唑磺胺基化合物制备药物，该药物特别适用于预防和/或治疗至少部分通过5-HT6受体介导的疾病或疾病。
• Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments
  申请人：Merce Vidal Ramon

  公开号：US20090005417A1

  公开（公告）日：2009-01-01

  The present invention relates to substituted indazolyl sulfonamide and 2,3-dihydroindolyl sulfonamide compounds of general formula I, a process for their preparation, medicaments comprising said substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds as well as the use of said substituted indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds for the preparation of medicaments, which are particularly suitable for the prophylaxis and/or treatment of disorders or diseases that are at least partially mediated via 5-HT 6 receptors.

  本发明涉及一般式I的取代的吲唑磺酰胺和2,3-二氢吲哚磺酰胺化合物，以及它们的制备方法、包含所述取代的吲唑磺酰胺和2,3-二氢吲哚磺酰胺化合物的药物，以及利用所述取代的吲唑磺酰胺和2,3-二氢吲哚磺酰胺化合物制备药物，特别适用于预防和/或治疗通过5-HT6受体介导的至少部分疾病或疾病的用途。
• MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS
  申请人：Clark Robin D.

  公开号：US20090275600A1

  公开（公告）日：2009-11-05

  The present invention provides a novel class of modified pyrimidine compounds and compositions and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了一种新型的改性嘧啶化合物类、组成物和使用该化合物作为糖皮质激素受体调节剂的方法。
• Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1902733A1

  公开（公告）日：2008-03-26

  The present invention relates to an active substance combination comprising at least one compound with 5-HT6 receptor affinity, and at least NMDA-receptor ligand, a medicament comprising said active substance combination, and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种由至少一种具有 5-HT6 受体亲和力的化合物和至少一种 NMDA 受体配体组成的活性物质组合、一种包含所述活性物质组合的药物，以及使用所述活性物质组合制造药物。