6-chloroisoquinoline-1,3(2H,4H)-dione | 98592-38-2

• 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: 6-chloroisoquinoline-1,3(2H,4H)-dione
• 英文别名: 6-chloro-4H-isoquinoline-1,3-dione
• CAS: 98592-38-2
• 化学式: C₉H₆ClNO₂
• 分子量: 195.605
• InChiKey: HDEAGQQOOUBWJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-chloroisoquinoline-1,3(2H,4H)-dione 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以22%的产率得到6-chloroisoquinoline-1,3,4(2H)-trione
  参考文献：
  名称：

  USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS

  摘要：

  使用通式（I）中的替代的异喹啉酮、异喹啉二酮、异喹啉三酮和二氢异喹啉酮或它们的相应盐，其中通式（I）中的基团对应于描述中给出的定义，用于增强植物对非生物胁迫的耐受性，增强植物生长和/或增加植物产量，并选择性地制备上述化合物的过程。

  公开号：

  US20140302987A1
• 作为产物：
  描述：

  4-氯-N-(2-氯乙酰基)苯甲酰胺 在 二叔丁基过氧化物 作用下， 以 邻二氯苯 、 乙腈 为溶剂， 生成 6-chloroisoquinoline-1,3(2H,4H)-dione
  参考文献：
  名称：

  方便合成间苯二甲酰亚胺。

  摘要：

  高纯邻苯二甲酰亚胺的六元杂环亚基可以通过从黄原酸酯前体开始的，迄今空前的自由基环化到芳环上来获得。

  DOI：

  10.1039/b207649g

文献信息

• Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof
  申请人：Tsou Hwei-Ru

  公开号：US20080085890A1

  公开（公告）日：2008-04-10

  This invention provides compounds of Formula (I), having the structure where G 1 , G 2 , G 3 , G 4 , A 1 , A 2 , Y 1 , Y 2 , L 1 , Z, e and f are defined herein, or a pharmaceutically acceptable salt thereof, which are useful for treating or preventing cancer.

  这项发明提供了具有结构的化合物（I），其中G1、G2、G3、G4、A1、A2、Y1、Y2、L1、Z、e和f在此处定义，或其药用可接受盐，用于治疗或预防癌症。
• Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants
  申请人：Frackenpohl Jens

  公开号：US09173395B2

  公开（公告）日：2015-11-03

  Use of substituted isoquinolinones, isoquinolinediones, isoquinolinetriones and dihydroisoquinolinones of the general formula (I) or their respective salts where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress, for strengthening plant growth and/or for increasing plant yield, and selected processes for preparing the compounds mentioned above.

  使用通式（I）中的取代的异喹啉酮，异喹啉二酮，异喹啉三酮和二氢异喹啉酮或它们的相应盐，其中通式（I）中的基团符合说明中给出的定义，用于增强植物对非生物胁迫的耐受性，增强植物生长和/或增加植物产量，以及选定的制备上述化合物的过程。
• Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof
  申请人：Wyeth LLC

  公开号：US07713994B2

  公开（公告）日：2010-05-11

  This invention provides compounds of Formula (I), having the structure where G1, G2, G3, G4, A1, A2, Y1, Y2, L1, Z, e and f are defined herein, or a pharmaceutically acceptable salt thereof, which are useful for treating or preventing cancer.

  这项发明提供了式（I）的化合物，其结构为G1，G2，G3，G4，A1，A2，Y1，Y2，L1，Z，e和f在此定义，或其药学上可接受的盐，用于治疗或预防癌症。
• 4-(Phenylaminomethylene)isoquinoline-1,3(2<i>H</i>,4<i>H</i>)-diones as Potent and Selective Inhibitors of the Cyclin-Dependent Kinase 4 (CDK4)
  作者：Hwei-Ru Tsou、Mercy Otteng、Tritin Tran、M. Brawner Floyd、Marvin Reich、Gary Birnberg、Kristina Kutterer、Semiramis Ayral-Kaloustian、Malini Ravi、Ramaswamy Nilakantan、Mary Grillo、John P. McGinnis、Sridhar K. Rabindran

  DOI：10.1021/jm800072z

  日期：2008.6.1

  The cyclin-dependent kinases (CDKs), as complexes with their respective partners, the cyclins, are critical regulators of cell cycle progression. Because aberrant regulations of CDK4/cyclin D1 lead to uncontrolled cell proliferation, a hallmark of cancer, small-molecule inhibitors of CDK4/cyclin D1 are attractive as prospective antitumor agents. The series of 4-(phenylaminomethylene)isoquinoline-1,3(2H,4H)-dione derivatives reported here represents a novel class of potent inhibitors that selectively inhibit CDK4 over CDK2 and CDK1 activities. In the headpiece of the 4-(phenylaminomethylene)isoquinoline-1,3(2H,4H)dione, a basic amine substitutent is required on the aniline ring for the CDK4 inhibitory activity. The inhibitory activity is further enhanced when an aryl or heteroaryl substituent is introduced at the C-6 position of the isoquinoline-1,3(2H,4H)-dione core. We present here SAR data and a CDK4 mimic model that explains the binding, potency, and selectivity of our CDK4 selective inhibitors.
• VERWENDUNG SUBSTITUIERTER ISOCHINOLINONE, ISOCHINOLINDIONE, ISOCHINOLINTRIONE UND DIHYDROISOCHINOLINONE ODER JEWEILS DEREN SALZE ALS WIRKSTOFFE GEGEN ABIOTISCHEN PFLANZENSTRESS
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2729007A1

  公开（公告）日：2014-05-14