N-methyl-3,4-dihydroisoquinoline-2(1H)-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-methyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
• 英文别名: N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
• 化学式: C₁₁H₁₄N₂O
• mdl: MFCD08722282
• 分子量: 190.245
• InChiKey: ZVDXJRUXHSIHEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  四氢异喹啉 生成 N-methyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
  参考文献：
  名称：

  SMOLANOFF, J. R.

  摘要：

  DOI：

文献信息

• Formamides as Isocyanate Surrogates: A Mechanistically Driven Approach to the Development of Atom-Efficient, Selective Catalytic Syntheses of Ureas, Carbamates, and Heterocycles
  作者：Jeffrey Bruffaerts、Niklas von Wolff、Yael Diskin-Posner、Yehoshoa Ben-David、David Milstein

  DOI：10.1021/jacs.9b08942

  日期：2019.10.16

  dehydrogenative coupling reactions. The design of these highly atom-efficient procedures was driven by the identification and characterization of the relevant organometallic complexes, uniquely exhibiting the trapping of an isocyanate intermediate. DFT calculations further contributed to shed light on the remarkably orchestrated chain of catalytic events, involving metal-ligand cooperation.

  尽管异氰酸酯具有危险性，但它们仍然是散装和精细化学品合成的关键组成部分。通过用效力较低且易于获得的甲酰胺前体替代它们，我们在此展示了一种替代的机械方法，通过基于钌的钳形复合物催化的无受体脱氢偶联反应选择性地获得广泛的尿素、氨基甲酸酯和杂环。这些高原子效率程序的设计是由相关有机金属配合物的鉴定和表征驱动的，独特地表现出异氰酸酯中间体的捕获。DFT 计算进一步有助于阐明催化事件的精心编排链，涉及金属-配体合作。
• NAMPT INHIBITORS
  申请人：Curtin Michael L.

  公开号：US20120122924A1

  公开（公告）日：2012-05-17

  Disclosed are compounds which inhibit the activity of NAMPT, compositions containing the compounds and methods of treating diseases during which NAMPT is expressed.

  揭示了抑制NAMPT活性的化合物，包含这些化合物的组合物以及治疗NAMPT表达疾病的方法。
• SUBSTITUTED ARYL COMPOUND
  申请人：Simcere Pharmaceutical Co., Ltd.

  公开号：EP4108663A1

  公开（公告）日：2022-12-28

  The present application describes a substituted aryl compound used as an RAD51 inhibitor and a pharmaceutically acceptable salt thereof. The compound has the structure as represented by Formula (I) and has the substituents and structural features as described in the present application. Furthermore, the present application describes a pharmaceutical composition containing the compound as represented by Formula (I) or the pharmaceutically acceptable salt thereof, and the use of the compound as represented by Formula (I) or the pharmaceutically acceptable salt thereof and the pharmaceutical composition containing same in the preparation of a drug for preventing or treating RAD51 mediated diseases.

  本申请描述了一种用作 RAD51 抑制剂的取代芳基化合物及其药学上可接受的盐。该化合物具有式（I）所代表的结构，并具有本申请中所描述的取代基和结构特征。此外，本申请还描述了一种含有式（I）所代表的化合物或其药学上可接受的盐的药物组合物，以及式（I）所代表的化合物或其药学上可接受的盐和含有该化合物的药物组合物在制备预防或治疗RAD51介导的疾病的药物中的用途。
• SMOLANOFF, J. R.
  作者：SMOLANOFF, J. R.

  DOI：——

  日期：——
• COMPOUNDS, COMPOSITIONS AND METHODS
  申请人：Denali Therapeutics Inc.

  公开号：US20220177438A1

  公开（公告）日：2022-06-09

  The present disclosure relates generally to eukaryotic initiation factor 2B modulators, or a pharmaceutically acceptable salt, stereoisomer, mixture of stereoisomers, or prodrug thereof, and methods of making and using thereof.