N-(2-Chloro-6-methylphenyl)[1,3]dioxolo[4,5-g]imidazo[1,5-a]quinoxalin-4-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-(2-Chloro-6-methylphenyl)[1,3]dioxolo[4,5-g]imidazo[1,5-a]quinoxalin-4-amine
• 英文别名: (2-Chloro-6-methyl-phenyl)-(7,9-dioxa-2,5,10b-triaza-dicyclopenta[a,g]naphthalen-4-yl)-amine；N-(2-chloro-6-methylphenyl)-12,14-dioxa-2,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,7,9,11(15)-hexaen-7-amine
• 化学式: C₁₈H₁₃ClN₄O₂
• 分子量: 352.78
• InChiKey: WCSWECFLPWAPFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  60.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2-二氨基-4,5-二甲氧基苯 在 三氟甲磺酸 、 三溴化硼 、 sodium hydride 、 三氟乙酸 、 三氯氧磷 作用下， 以 四氢呋喃 、 苯甲醚 、 甲苯 为溶剂， 生成 N-(2-Chloro-6-methylphenyl)[1,3]dioxolo[4,5-g]imidazo[1,5-a]quinoxalin-4-amine
  参考文献：
  名称：

  Synthesis and SAR of novel imidazoquinoxaline-Based Lck inhibitors: improvement of cell potency

  摘要：

  A series of anilino(imidazoquinoxaline) analogues bearing solubilizing side chains at the 6- and 7-positions of the fused phenyl ring has been prepared and evaluated for inhibition against Lck enzyme and of T-cell proliferation. Significant improvement of the cellular activity was achieved over the initial lead, compound 2. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00677-7

文献信息

• US6235740B1
  申请人：——

  公开号：US6235740B1

  公开（公告）日：2001-05-22
• [EN] IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS A BASE D'IMIDAZOQUINOXALINES DE LA PROTEINE TYROSINE KINASE
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：WO1999009845A1

  公开（公告）日：1999-03-04

  (EN) Novel imidazoquinoxalines and salts thereof, pharmaceutical compositions containing such compounds, and methods of using such compounds in the treatment of protein tyrosine kinase-associated disorders such as immunologic disorders.(FR) La présente invention concerne de nouvelles imidazoquinoxalines et des sels de celles-ci, des compositions pharmaceutiques contenant ces composés et des procédés d'utilisation de ces composés dans le traitement de troubles associés à la protéine tyrosine kinase, tels que des troubles immunologiques.
• Synthesis and SAR of novel imidazoquinoxaline-Based Lck inhibitors: improvement of cell potency
  作者：Ping Chen、Edwin J. Iwanowicz、Derek Norris、Henry H. Gu、James Lin、Robert V. Moquin、Jagabandhu Das、John Wityak、Steven H. Spergel、Henry de Fex、Suhong Pang、Sydney Pitt、Ding Ren Shen、Gary L. Schieven、Joel C. Barrish

  DOI：10.1016/s0960-894x(02)00677-7

  日期：2002.11

  A series of anilino(imidazoquinoxaline) analogues bearing solubilizing side chains at the 6- and 7-positions of the fused phenyl ring has been prepared and evaluated for inhibition against Lck enzyme and of T-cell proliferation. Significant improvement of the cellular activity was achieved over the initial lead, compound 2. (C) 2002 Elsevier Science Ltd. All rights reserved.