2-氯-7-硝基喹啉 | 49609-03-2

• 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
• 中文名称: 2-氯-7-硝基喹啉
• 英文名称: 2-chloro-7-nitroquinoline
• CAS: 49609-03-2
• 化学式: C₉H₅ClN₂O₂
• 分子量: 208.604
• InChiKey: PBGQDNSMFBXURC-UHFFFAOYSA-N

物化性质

• 熔点：
  137-139 °C(Solv: ethanol (64-17-5))
• 沸点：
  363.4±22.0 °C(Predicted)
• 密度：
  1.484±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氯-7-硝基喹啉 在 氨 作用下， 以 甲醇 为溶剂， 反应 20.0h， 以90%的产率得到2-amino-7-nitroquinoline
  参考文献：
  名称：

  7-Aminoquinolines. A novel class of agents active against herpes viruses

  摘要：

  A series of 7-aminoquinoline derivatives was synthesized and evaluated for their capacity to produce cytotoxicity in KB cells and to inhibit the replication of herpes simplex virus (HSV) type 1. All compounds tested inhibited the replication of HSV-1 with 50% inhibitory concentrations in the range of 2-50 micrograms/mL. The antiviral activity of many compounds, however, was separated from cytotoxicity to replicating uninfected cells by only two- to fivefold higher than those required for antiviral activity. Nonetheless, six compounds (10, 28, 29, 32, 34, and 36) were identified in which the separation was greater than fivefold. All compounds examined were more potent inhibitors of viral DNA synthesis than the cellular DNA synthesis.

  DOI：

  10.1021/jm00402a016
• 作为产物：
  描述：

  7-硝基喹啉-2-醇 在 三氯氧磷 作用下， 反应 1.0h， 以95%的产率得到2-氯-7-硝基喹啉
  参考文献：
  名称：

  7-Aminoquinolines. A novel class of agents active against herpes viruses

  摘要：

  A series of 7-aminoquinoline derivatives was synthesized and evaluated for their capacity to produce cytotoxicity in KB cells and to inhibit the replication of herpes simplex virus (HSV) type 1. All compounds tested inhibited the replication of HSV-1 with 50% inhibitory concentrations in the range of 2-50 micrograms/mL. The antiviral activity of many compounds, however, was separated from cytotoxicity to replicating uninfected cells by only two- to fivefold higher than those required for antiviral activity. Nonetheless, six compounds (10, 28, 29, 32, 34, and 36) were identified in which the separation was greater than fivefold. All compounds examined were more potent inhibitors of viral DNA synthesis than the cellular DNA synthesis.

  DOI：

  10.1021/jm00402a016

文献信息

• Trk抑制剂、其制备方法和用途
  申请人：北京富龙康泰生物技术有限公司

  公开号：CN110857304B

  公开（公告）日：2021-05-18

  本申请属于医药领域，具体涉及Trk抑制剂、其制备方法和用途。本发明主要涉及下式A1、式A2、式A3或式A4所示的化合物、及所述化合物中任一化合物的药学上可接受的盐、立体异构体、同位素标记物、溶剂化物、多晶形物或前药，及所述化合物的制备方法和应用
• [EN] SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR)<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR D'HYDROCARBURES ARYLE (AHR)
  申请人：PHENEX PHARMACEUTICALS AG

  公开号：WO2020021024A1

  公开（公告）日：2020-01-30

  The present invention relates to bicyclic compounds which can act as aryl hydrocarbon receptor (AhR) modulators and, in particular, as AhR antagonists. The invention further relates to the use of the compounds for the treatment and/or prophylaxis of diseases and/or conditions through binding of said aryl hydrocarbon receptor by said compounds. A-B-L-C (I)

  本发明涉及能够作为芳香烃受体（AhR）调节剂的双环化合物，特别是作为AhR拮抗剂。该发明进一步涉及利用这些化合物通过结合所述芳香烃受体来治疗和/或预防疾病和/或症状的用途。A-B-L-C（I）
• Effects of the Distance between Radical Sites on the Reactivities of Aromatic Biradicals
  作者：Duanchen Ding、Hanning Jiang、Xin Ma、John J. Nash、Hilkka I. Kenttämaa

  DOI：10.1021/acs.joc.0c00658

  日期：2020.7.2

  separated further than that does no coupling occur. The most reactive radical site of each biradical was experimentally determined to be the one predicted to be more reactive based on the monoradical reactivity data. Therefore, the calculated vertical electron affinities of relevant monoradicals can be used to predict which radical site is most reactive in the biradicals.

  已知异构苯并炔中自由基位点的偶联会阻碍其自由基反应性。为了确定自由基位点必须相隔多远才能使其不相互作用，研究了几种基于异构体的质子化（异）喹啉和a啶基双自由基的气相反应性。发现所有（异）喹啉鎓基双自由基的反应均比具有相似垂直电子亲和力（即相似的极性效应）的相关单自由基反应慢。与之形成鲜明对比的是，the啶基双基自由基的自由基位置远比（异）喹啉鎓基体系中的自由基位置远，其相关反应性高于具有相似垂直电子亲和力的相关单基自由基。这些双自由基中两个自由基位置之间的距离较大，导致自旋-自旋耦合极少或没有，并且未观察到自由基反应性的抑制。因此，如果自由基位点位于相邻的苯环上并且仅在进一步分离之后才相互作用，否则不会发生偶联。根据单自由基反应性数据，通过实验确定每个双自由基的最高反应性自由基位点是预测为更具反应性的自由基。因此，所计算的相关基团的垂直电子亲和力可用于预测哪个基团在双基团中最具有反应性。根
• NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF
  申请人：FUJIWARA Hideyasu

  公开号：US20130116430A1

  公开（公告）日：2013-05-09

  An object of the present invention is to provide to a compound and a pharmaceutical composition, which have excellent Syk-inhibitory activity. The present invention provides a nicotinamide derivative represented by the following formula (I) (wherein R 1 represents a halogen atom; R 2 represents a C 1-12 alkyl group, a C 2-12 alkenyl group, a C 2-12 alkynyl group, a C 3-8 cycloalkyl group, an aryl group, an ar-C 1-6 alkyl group or a heterocyclic group, each optionally having at least one substituent; R 3 represents an aryl group or a heterocyclic group each optionally having at least one substituent; and R 4 and R 5 each independently represent a hydrogen atom; and R 2 and R 4 may form a cyclic amino group optionally having at least one substituent together with the nitrogen atom to which they bind) or a salt thereof, and a pharmaceutical composition for use in the treatment of a Syk-related disease which comprises the nicotinamide derivative or a salt thereof.

  本发明的目的是提供一种具有优异的Syk抑制活性的化合物和制药组合物。本发明提供了一种由以下式(I)表示的烟酰胺衍生物（其中R1表示卤素原子；R2表示C1-12烷基、C2-12烯基、C2-12炔基、C3-8环烷基、芳基、芳基-C1-6烷基或杂环基，每种均可选地具有至少一个取代基；R3表示芳基或杂环基，每种均可选地具有至少一个取代基；R4和R5各自独立地表示氢原子；且R2和R4可以与它们结合的氮原子一起形成具有至少一个取代基的环状氨基团）或其盐，并且用于治疗Syk相关疾病的制药组合物包括该烟酰胺衍生物或其盐。
• [EN] TEAD INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TEAD ET LEURS UTILISATIONS
  申请人：CEDILLA THERAPEUTICS INC

  公开号：WO2022204452A1

  公开（公告）日：2022-09-29

  The present application relates to compounds of formula (I'), pharmaceutically acceptable compositions thereof, and methods of using the same. The compounds of formula I' are TEAD inhibitors, useful in the treatment of cancer.

  本申请涉及式(I')的化合物，其药学上可接受的组合物以及使用它们的方法。式I'的化合物是TEAD抑制剂，在癌症治疗中有用。