2-Bromo-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide | 709008-52-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Bromo-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
• CAS: 709008-52-6
• 化学式: C₁₇H₁₅BrN₂OS
• 分子量: 375.289
• InChiKey: GNUGDLPLONFWGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.24
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  41.99
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-氨基嘧啶 、 2-Bromo-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-(pyrimidin-4-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
  参考文献：
  名称：

  Discovery of 2-amino-heteroaryl-benzothiazole-6-anilides as potent p56lck inhibitors

  摘要：

  A series of structurally novel benzothiazole based small molecule inhibitors of p56(lck) was prepared to elucidate their structure-activity relationships (SAR), selectivity and cell activity in the T-cell proliferation assay. BMS-350751 (2) and BMS-358233 (3) are identified as potent Lck inhibitors with excellent cellular activities against T-cell proliferation. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00511-0
• 作为产物：
  描述：

  2-amino-N-mesitylbenzo[d]thiazole-6-carboxamide 在 2-甲基-2-硝基丙烷 、 copper(ll) bromide 作用下， 以 乙腈 为溶剂， 生成 2-Bromo-benzothiazole-6-carboxylic acid (2,4,6-trimethyl-phenyl)-amide
  参考文献：
  名称：

  Discovery of 2-amino-heteroaryl-benzothiazole-6-anilides as potent p56lck inhibitors

  摘要：

  A series of structurally novel benzothiazole based small molecule inhibitors of p56(lck) was prepared to elucidate their structure-activity relationships (SAR), selectivity and cell activity in the T-cell proliferation assay. BMS-350751 (2) and BMS-358233 (3) are identified as potent Lck inhibitors with excellent cellular activities against T-cell proliferation. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00511-0