5-isothiocyanatoquinoline | 1001183-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-isothiocyanatoquinoline
• CAS: 1001183-84-1
• 化学式: C₁₀H₆N₂S
• mdl: MFCD11131112
• 分子量: 186.237
• InChiKey: PHYKIILAWGSZIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-isothiocyanatoquinoline 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 2: Orally bioavailable compounds

  摘要：

  Structure-activity; relationships and efforts to optimize the pharmacokinetic profile of a class of 2-arylimino-5,6-dihydro4H-1,3-thiazines as cannabinoid receptor agonists are described. Among the compounds examined, compound 14 showed potent affinity and high selectivity for CB2, and compound 23 showed potent affinities against CB1 and CB2. These compounds displayed oral bioavailability. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.099
• 作为产物：
  描述：

  5-氨基喹啉 在 N,N'-硫羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 5-isothiocyanatoquinoline
  参考文献：
  名称：

  WO2008/5368

  摘要：

  公开号：

文献信息

• Design, synthesis and evaluation in an LPS rodent model of neuroinflammation of a novel 18F-labelled PET tracer targeting P2X7
  作者：Enrico Raffaele Fantoni、Diego Dal Ben、Simonetta Falzoni、Francesco Di Virgilio、Simon Lovestone、Antony Gee

  DOI：10.1186/s13550-017-0275-2

  日期：2017.12

  [18F]EFB was synthesised in 210 min in 3-5% decay-corrected radiochemical yield (DC RCY), >99% radiochemical purity (RCP) and >300 GBq/μmol and fully characterised. Functional assays showed that the compound binds with nM K i to human, rat and mouse P2X7 receptors. In vivo, [18F]EFB displayed a desirable distribution profile, and while it showed low blood-brain barrier penetration, brain uptake was quantifiable

  背景技术已经显示出P2​​X7受体在炎性级联的起始和维持中起基本作用。新型氟18 PET示踪剂的开发优于目前可用的氟并具有更长的半衰期，是朝着利用该靶标提供的治疗和诊断潜能迈出的有希望的一步。受已知拮抗剂A-804598的启发，本研究概述了通过分子对接，合成和新型P2X7示踪剂[18F] EFB的生物学评估进行的设计。通过三步程序对示踪剂进行放射性标记，通过钙内流分析在P2X7转染的HEK293和B16细胞中评估了体外结合，并在注射脂多糖（LPS）的神经炎症大鼠模型中进行了临床前评估。结果新型示踪剂[18F] EFB以210％的衰变校正放射化学收率（DC RCY），> 99％放射化学纯度（RCP）和> 300 GBq /μmol合成，并得到了充分表征。功能分析表明该化合物与nM K i结合至人，大鼠和小鼠的P2X7受体。在体内，[18F] EFB表现出理想的分布特征，尽管显示出低的血脑屏障
• 一种聚碳酸酯抗高温降解剂的制备方法及一种聚碳酸酯组合物
  申请人：万华化学集团股份有限公司

  公开号：CN114516848A

  公开（公告）日：2022-05-20

  本发明提供了一种聚碳酸酯抗高温降解剂的制备方法及一种聚碳酸酯组合物，采用铟催化剂制备的抗高温降解剂的结构通式如下：，本发明制备方法简单、操作方便，并且产物易于提纯、收率高，可避免在聚碳酸酯组合物中引入杂质；该物质在空气氛围及高温条件下具有良好的抗高温降解能力，并且有利于节省聚碳酸酯组合物的生产成本。
• Piperazines as P2X7 antagonists
  申请人：Betschmann Patrick

  公开号：US20080076924A1

  公开（公告）日：2008-03-27

  Novel compounds of Formula (I) or pharmaceutically acceptable salts thereof, metabolites thereof, isomers thereof, enantiomers thereof or prodrugs thereof of Formula (I) wherein the substituents are as defined herein, which are useful as therapeutic agents.

  化合物I式的新型化合物或其药学上可接受的盐、代谢物、异构体、对映体或前药，其中取代基如本文所定义，这些化合物可用作治疗剂。
• Synthesis and in vitro activity of N′-cyano-4-(2-phenylacetyl)-N-o-tolylpiperazine-1-carboximidamide P2X7 antagonists
  作者：Michael J. Morytko、Patrick Betschmann、Kevin Woller、Anna Ericsson、Haipeng Chen、Diana L. Donnelly-Roberts、Marian T. Namovic、Michael F. Jarvis、William A. Carroll、Paul Rafferty

  DOI：10.1016/j.bmcl.2008.01.094

  日期：2008.3

  A novel series of cyanoguanidine-piperazine P2X(7) antagonists was designed based upon the structure of A-740003. Structure-activity relationship (SAR) studies focused on the piperazine moiety and the right hand side substitution. Compounds were assayed for activity at human and rat P2X7 receptors and compound 29 was found to possess potent activity (IC50 = 30-60 nM) at both species. (c) 2008 Elsevier Ltd. All rights reserved.
• Synthesis and activity of N-cyanoguanidine-piperazine P2X7 antagonists
  作者：Patrick Betschmann、Brian Bettencourt、Diana Donnelly-Roberts、Michael Friedman、Jonathan George、Gavin Hirst、Nathan Josephsohn、Donald Konopacki、Biqin Li、John Maull、Michael J. Morytko、Nigel StJohn Moore、Marian Namovic、Paul Rafferty、Jose-Andres Salmeron-Garcia、Edit Tarcsa、Lu Wang、Kevin Woller

  DOI：10.1016/j.bmcl.2008.06.055

  日期：2008.7

  A novel series of cyanoguanidine-piperazine P2X(7) antagonists were identified and structure-activity relationship (SAR) studies described. Compounds were assayed for activity at human and rat P2X(7) receptors in addition to their ability to inhibit IL-1 beta release from stimulated human whole blood cultures. Compound 27 possesses potent activity (0.12 mu M) in this latter assay and demonstrates moderate clearance in-vivo. (C) 2008 Elsevier Ltd. All rights reserved.