3-甲基-2-吡啶-3-基-吲哚 | 21816-37-5

• 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-甲基-2-吡啶-3-基-吲哚
• 英文名称: 2-(3-Pyridyl)-3-methylindol
• 英文别名: 3-methyl-2-pyridin-3-yl-indole；3-methyl-2-(3-pyridyl)indole；3-methyl-2-(pyridin-3-yl)-1H-indole；3-methyl-2-pyridin-3-yl-1H-indole
• CAS: 21816-37-5
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: AOQRSYDGSPJRIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-甲基-2-吡啶-3-基-吲哚 在 sodium hydroxide 、 sodium hydride 、 sodium iodide 作用下， 反应 2.5h， 生成 <4-<3-methyl-2-(3-pyridinyl)-1H-indol-1-yl>butyl>phosphonic acid monoethyl ester
  参考文献：
  名称：

  Dual Angiotensin Converting Enzyme/Thromboxane Synthase Inhibitors

  摘要：

  A variety of compounds were prepared to determine whether dual angiotensin converting enzyme (ACE)/thromboxane synthase (TxS) inhibition could be obtained in the same molecule. These compounds would be used to explore the concept that a dual inhibitor would have superior antihypertensive activity in the spontaneous hypertensive rat compared to an ACE inhibitor. Potent in vitro dual ACE and TxS inhibition was obtained in the same molecule with five series of compounds. Potent blood pressure lowering in the SHR was observed after oral administration of 8b and 11. However, a correlation between blood pressure lowering and the Al presser response inhibition was not observed. The blood pressure-lowering actions of enalapril were significantly potentiated by concurrent administration of 3, a thromboxane synthase inhibitor. Analysis of the area under the curve for 24 h showed nearly a doubling of the blood pressure-lowering effect.

  DOI：

  10.1021/jm00038a011
• 作为产物：
  描述：

  3-氯吡啶 、 3-甲基吲哚 在 sodium t-butanolate 、 (5-tert-butyl-2-hydroxyphenyl)diphenylphosphine 作用下， 以 二甲基亚砜 为溶剂， 反应 22.0h， 以47%的产率得到3-甲基-2-吡啶-3-基-吲哚
  参考文献：
  名称：

  邻膦基苯酚和邻膦硫代苯酚光催化芳基卤化物的交叉偶联

  摘要：

  o -Phosphinophenolate 和o -phosphinothiophenolate是有效的光催化剂，具有很强的还原能力，可在可见光下活化芳基氯化物和溴化物，进行硼化、芳基化和磷酸化。实验和理论研究表明，邻二苯基膦取代基会导致窄的光学间隙并促进系统间交叉进入三重态，从而促进酚盐和苯硫酚作为有效的可见光-光氧化还原催化剂发挥作用。本文提出的结果表明合成改性的酚盐和苯硫酚盐作为光氧化还原催化剂的前景广阔。

  DOI：

  10.1021/acscatal.1c05941

文献信息

• N-Substituted-2-pyridylindoles
  申请人：Ciba-Geigy Corporation

  公开号：US04478842A1

  公开（公告）日：1984-10-23

  Various 1-carboxylic acid substituted-2-pyridylindoles and functional derivatives thereof are highly specific thromboxane synthetase inhibitors. Synthesis of, pharmaceutical compositions thereof, and methods of treatment utilizing such compounds are included.

  各种1-羧基取代-2-吡啶基吲哚及其功能衍生物是高度特异的血栓素合成酶抑制剂。包括它们的合成、药物组合物以及利用这些化合物进行治疗的方法。
• [EN] PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF PSYCHIATRIC AND NEUROLOGICAL CONDITIONS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT OU LA PRÉVENTION DE TROUBLES PSYCHIATRIQUES ET NEUROLOGIQUES
  申请人：TAKEDA CAMBRIDGE LTD

  公开号：WO2015079224A1

  公开（公告）日：2015-06-04

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, in which R1, R2, R3, R4 and R5 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）化合物及其药用可接受盐，其中R1、R2、R3、R4和R5如规范中定义，其制备方法，含有它们的药物组合物以及它们在治疗中的应用。
• ORGANIC COMPOUNDS
  申请人：Adams Christopher

  公开号：US20110082129A1

  公开（公告）日：2011-04-07

  The present invention provides novel organic compounds of Formula I: methods of use, and pharmaceutical compositions thereof.

  本发明提供了化合物I的新型有机化合物，使用方法和其药物组成物。
• N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME
  申请人：Nikken Chemicals Company, Limited

  公开号：EP0949259A1

  公开（公告）日：1999-10-13

  An N-hydroxyurea derivative having an antiallergic action or anti-inflammatory action having the formula (I): wherein, either one of R1, R3, and R4 represents A, either one of the other groups of R1, R3, and R4 and R2 represents a 3-pyridyl group or 3-pyridylalkyl group, the remaining groups of R1, R2, R3, and R4 independently represent a hydrogen atom, halogen atom, or a substituted or unsubstituted C1 to C8 alkyl group, R5 represents a hydrogen atom or lower alkyl group, R6 represents a hydrogen atom, lower alkyl group, C3 to C7 cycloalkyl group, or a substituted or unsubstituted phenyl group, where the substituent represents a halogen atom, lower alkyl group, or lower alkoxy group, B represents a bond, C1 to C20 alkylene group, C2 to C8 alkenylene group, or C2 to C8 alkynylene group or B-C(R5) represents a C2 to C6 alkylene group having a benzene ring in the middle thereof or its pharmacologically acceptable salt or the hydrate or solvate thereof.

  一种具有抗过敏作用或抗炎作用的 N-羟基脲衍生物，具有式（I）： 其中，R1、R3 和 R4 中的任一基团代表 A，R1、R3 和 R4 的其它基团和 R2 中的任一基团代表 3-吡啶基或 3-吡啶烷基，R1、R2、R3 和 R4 的其余基团独立地代表氢原子、卤素原子或取代或未取代的 C1 至 C8 烷基，R5 代表氢原子或低级烷基，R6 代表氢原子、低级烷基、C3 至 C7 环烷基或取代或未取代的苯基、B 代表键、C1 至 C20 亚烷基、C2 至 C8 烯基或 C2 至 C8 亚炔基，或 B-C(R5)代表中间有苯环的 C2 至 C6 亚烷基或其药理学上可接受的盐或其水合物或溶液。
• Piperidine derivatives for use in the treatment or prevention of psychiatric and neurological conditions
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US10562882B2

  公开（公告）日：2020-02-18

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, in which R1, R2, R3, R4 and R5 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式 (I) 化合物及其药学上可接受的盐类（其中 R1、R2、R3、R4 和 R5 如说明书中所定义）、其制备工艺、含有它们的药物组合物以及它们在治疗中的用途。