1-methyl-2-(6-trifluoromethyl-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid | 1325718-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-methyl-2-(6-trifluoromethyl-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid
• 英文别名: 1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid
• CAS: 1325718-82-8
• 化学式: C₁₇H₁₁F₃N₄O₂S
• 分子量: 392.361
• InChiKey: QYIYRSQFJHJBKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-methyl-2-(6-trifluoromethyl-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid 、 L-丙氨酸甲酯盐酸盐 、 2-(1h-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate 以 N,N-二异丙基乙胺 为溶剂， 生成 (S)-2-{[1-Methyl-2-(6-trifluoromethyl-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carbonyl]-amino}-propionic acid methyl ester
  参考文献：
  名称：

  Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof

  摘要：

  本发明提供了替代融合咪唑衍生物，它们的制备方法，包括替代融合咪唑衍生物的药物组合物以及在治疗炎症方面使用的方法。这些替代融合咪唑衍生物可以控制血红素氧化酶的活性或数量或活性和数量。

  公开号：

  US08759535B2
• 作为产物：
  描述：

  1-methyl-2-(6-trifluoromethyl-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid methyl ester 、 氢氧化锂 生成 1-methyl-2-(6-trifluoromethyl-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid
  参考文献：
  名称：

  Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof

  摘要：

  提供了替代融合咪唑衍生物、其制备方法、包含替代融合咪唑衍生物的药物组合物以及在治疗炎症方面的使用方法。替代融合咪唑衍生物可以控制血红素氧合酶的活性或数量或两者同时控制。

  公开号：

  US20140200212A1

文献信息

• Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof
  申请人：vTv Therapeutics LLC

  公开号：US10172840B2

  公开（公告）日：2019-01-08

  The disclosure provides pharmaceutical compositions comprising Bach1 Inhibitors and Nrf2 Activators. The disclosure also provides methods of treating diseases such as psoriasis, multiple sclerosis, and COPD comprising administering a Bach1 Inhibitor and a Nrf2 Activator to a subject in need thereof.

  本公开提供了包含 Bach1 抑制剂和 Nrf2 激活剂的药物组合物。本公开还提供了治疗牛皮癣、多发性硬化症和慢性阻塞性肺病等疾病的方法，包括向有需要的受试者施用 Bach1 抑制剂和 Nrf2 激活剂。
• Methods and compositions for treating cancer
  申请人：THE UNIVERSITY OF CHICAGO

  公开号：US10888569B1

  公开（公告）日：2021-01-12

  The disclosure relates to improved therapeutic methods for treating cancer patients. The methods include a method for treating cancer in a subject comprising administering an effective amount of a BACH1 inhibitor and an ETC inhibitor to the subject. Further aspects of the disclosure relate to a method for treating cancer in a subject comprising: administering a first therapeutic regimen comprising an ETC inhibitor to the subject after a biological sample from the subject was determined to have a decreased or substantially the same level of expression of BACH1 relative to a control sample or to a cut-off value; wherein the first therapeutic regimen excludes a BACH1 inhibitor; or administering a second therapeutic regimen comprising a BACH1 inhibitor and an ETC inhibitor to the subject after a biological sample from the subject was determined to have an increased level of expression of BACH1 relative to a control sample or a cut-off value.

  本公开涉及治疗癌症患者的改进治疗方法。这些方法包括治疗受试者癌症的方法，该方法包括向受试者施用有效量的 BACH1 抑制剂和 ETC 抑制剂。本公开的其他方面涉及一种治疗受试者癌症的方法，包括在确定受试者的生物样本相对于对照样本或临界值具有降低或基本相同的BACH1表达水平之后，向受试者施用包含ETC抑制剂的第一治疗方案；其中第一治疗方案不包括BACH1抑制剂；或 在确定受试者的生物样本相对于对照样本或临界值具有升高的BACH1表达水平之后，向受试者施用包含BACH1抑制剂和ETC抑制剂的第二治疗方案。
• SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：vTv Therapeutics LLC

  公开号：EP2536285B1

  公开（公告）日：2018-04-25
• Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof
  申请人：vTv Therapeutics LLC

  公开号：US20170231967A1

  公开（公告）日：2017-08-17

  The disclosure provides pharmaceutical compositions comprising Bach1 Inhibitors and Nrf2 Activators. The disclosure also provides methods of treating diseases such as psoriasis, multiple sclerosis, and COPD comprising administering a Bach1 Inhibitor and a Nrf2 Activator to a subject in need thereof.
• Methods of Inhibiting Osteoclastogenesis and Osteoclast Activity
  申请人：vTv Therapeutics LLC

  公开号：US20210283111A1

  公开（公告）日：2021-09-16

  The present invention provides methods of inhibiting osteoclastogenesis or inhibiting osteoclast activity using fused imidazole derivative compounds and pharmaceutical compositions. These methods may be used to treat various bone destructive disorders.