N-isoquinolin-1-ylpropanamide | 1354695-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-isoquinolin-1-ylpropanamide
• CAS: 1354695-99-0
• 化学式: C₁₂H₁₂N₂O
• 分子量: 200.24
• InChiKey: DSQZJOMACDAXSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-isoquinolin-1-ylpropanamide 在 劳森试剂 、 吡啶 作用下， 反应 2.0h， 以92%的产率得到N-isoquinolin-1-ylpropanethioamide
  参考文献：
  名称：

  Synthesis and biological evaluation of (4H-1,2,4-triazol-4-yl)isoquinoline derivatives as selective glycine transporter 1 inhibitors

  摘要：

  To identify novel glycine transporter 1(GlyT1) inhibitors with greater selectivity relative to GlyT2 and improved aqueous solubility, we synthesized a series of 4H-1,2,4-triazole derivatives with heteroaromatic rings at the 4-position and investigated their structure-activity relationships. Replacement of the 2-fluorophenyl group of lead compound 5 with various aromatic groups led to the identification of 5-(3-biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)isoquinoline (15) with 38-fold selectivity between GlyT1 and GlyT2. 15 also showed improved aqueous solubility and in vivo efficacy on (+)-HA966-induced hyperlocomotion in mice over the lead compound. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.038
• 作为产物：
  描述：

  1-氨基异喹啉 、 丙酰氯 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到N-isoquinolin-1-ylpropanamide
  参考文献：
  名称：

  Synthesis and biological evaluation of (4H-1,2,4-triazol-4-yl)isoquinoline derivatives as selective glycine transporter 1 inhibitors

  摘要：

  To identify novel glycine transporter 1(GlyT1) inhibitors with greater selectivity relative to GlyT2 and improved aqueous solubility, we synthesized a series of 4H-1,2,4-triazole derivatives with heteroaromatic rings at the 4-position and investigated their structure-activity relationships. Replacement of the 2-fluorophenyl group of lead compound 5 with various aromatic groups led to the identification of 5-(3-biphenyl-4-yl-5-ethyl-4H-1,2,4-triazol-4-yl)isoquinoline (15) with 38-fold selectivity between GlyT1 and GlyT2. 15 also showed improved aqueous solubility and in vivo efficacy on (+)-HA966-induced hyperlocomotion in mice over the lead compound. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.038

文献信息

• [EN] THERAPEUTIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS THÉRAPEUTIQUES ET LEURS UTILISATIONS
  申请人：GENENTECH INC

  公开号：WO2016055028A1

  公开（公告）日：2016-04-14

  The present invention relates to compounds of formula (I): and to salts thereof, wherein A has any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及式(I)的化合物及其盐，其中A具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作CBP和/或EP300的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种CBP和/或EP300介导的疾病中使用这些化合物和盐的方法。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10206931B2

  公开（公告）日：2019-02-19

  The present invention relates to compounds of formula (I): and to salts thereof, wherein A has any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及式（I）化合物： 及其盐，其中 A 具有说明书中定义的任一值，以及其组合物和用途。这些化合物可用作 CBP 和/或 EP300 的抑制剂。还包括包含式（I）化合物或其药学上可接受的盐的药物组合物，以及使用此类化合物和盐治疗各种CBP和/或EP300介导的疾病的方法。
• Method for the production of praziquantel and precursors thereof
  申请人：Merck Patent GmbH

  公开号：US10273213B2

  公开（公告）日：2019-04-30

  The present invention provides methods of preparing Praziquantel, in particular (R)-Praziquantel and analogues thereof in a stereoselective manner. One method involves asymmetric hydrogenation of the following intermediate compound and subsequent cyclization.

  本发明提供了以立体选择性方式制备吡喹酮，特别是(R)-吡喹酮及其类似物的方法。其中一种方法涉及以下中间体化合物的不对称氢化反应 然后进行环化。
• METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF
  申请人：Merck Patent GmbH

  公开号：EP3344605A1

  公开（公告）日：2018-07-11
• Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer
  申请人：NAKAHARA Shinya

  公开号：US20080227937A1

  公开（公告）日：2008-09-18

  A process for producing an olefin copolymerization catalyst, comprising the step of contacting, with one another, (A) a solid catalyst component containing a titanium atom, a magnesium atom and a halogen atom, (B) an organoaluminum compound and/or organoaluminumoxy compound, and (C) a nitrogen-containing aromatic heterocyclic compound, whose one or more carbon atoms adjacent to its nitrogen atom are linked to an electron-donating group, or a group containing an electron-donating group; and a process for producing an olefin copolymer using the an olefin copolymerization catalyst.