7-chloro-5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide | 820214-08-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 7-chloro-5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
• 英文别名: 2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-chloro-5-methoxy-, 1,1-dioxide；7-chloro-5-methoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
• CAS: 820214-08-2
• 化学式: C₈H₇ClN₂O₄S
• 分子量: 262.674
• InChiKey: YIMAAXJOHOYGOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-chloro-5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide 在 吡啶 、 lithium chloride 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 7-chloro-5-hydroxy-3-(phenylamino)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
  参考文献：
  名称：

  3-Arylamino-2H-1,2,4-benzothiadiazin-5-ol 1,1-dioxides as novel and selective CXCR2 antagonists

  摘要：

  A series of 3-arylamino-2H-1,2,4-benzothiadiazin-5-oI 1,1-dioxides were prepared and shown to be novel and selective antagonists of the CXCR2 receptor. Synthesis, structure and activity relationships, selectivity, and some developability properties are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.011
• 作为产物：
  描述：

  5-氯-2-硝基苯甲醚 在 platinum on activated charcoal 三氯化铝 、 ammonium formate 作用下， 以 甲醇 为溶剂， 生成 7-chloro-5-methoxy-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
  参考文献：
  名称：

  3-Arylamino-2H-1,2,4-benzothiadiazin-5-ol 1,1-dioxides as novel and selective CXCR2 antagonists

  摘要：

  A series of 3-arylamino-2H-1,2,4-benzothiadiazin-5-oI 1,1-dioxides were prepared and shown to be novel and selective antagonists of the CXCR2 receptor. Synthesis, structure and activity relationships, selectivity, and some developability properties are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.011

文献信息

• [EN] BENZOTHIADIAZINE COMPOUNDS<br/>[FR] COMPOSÉS BENZOTHIADIAZINE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017098421A1

  公开（公告）日：2017-06-15

  The invention is directed to substituted benzothiadiazine derivatives. Specifically, the invention is directed to compounds according to Formula (I):wherein R, R1, R2, R3, R4 and R5 are as defined herein. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, autoimmune diseases, infections, atherosclerosis, and ischemia-reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代苯并噻二嗪衍生物。具体而言，本发明涉及式(I)化合物：其中R、R1、R2、R3、R4和R5定义如下。本发明的化合物是CD73的抑制剂，可用于治疗癌症、前癌综合症和与CD73抑制相关的疾病，如艾滋病、自身免疫病、感染、动脉粥样硬化和缺血-再灌注损伤。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明更进一步的涉及使用本发明化合物或包含本发明化合物的药物组合物抑制CD73活性和治疗相关疾病的方法。
• Il-8 receptor antagonists
  申请人：Busch-Petersen Jakob

  公开号：US20060122173A1

  公开（公告）日：2006-06-08

  This invention relates to novel compounds of Formula (I) to (VII), and compositions thereof, useful in the treatment of disease states mediated by the chemokine, Interleukin-8 (IL-8).

  本发明涉及公式(I)到(VII)的新化合物及其组合物，用于治疗由趋化因子白介素8（IL-8）介导的疾病状态。
• IL-8 RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1631559A2

  公开（公告）日：2006-03-08
• EP1631559A4
  申请人：——

  公开号：EP1631559A4

  公开（公告）日：2008-08-27
• [EN] IL-8 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR IL-8
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005000231A2

  公开（公告）日：2005-01-06

  This invention relates to novel compounds of Formula (I) to (VII), and compositions thereof, useful in the treatment of disease states mediated by the chemokine, Interleukin-8 (IL-8).