2-(dimethylamino)-6-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-1H-benzimidazole-4-carboxylic acid | 1422206-77-6

• 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-(dimethylamino)-6-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-1H-benzimidazole-4-carboxylic acid
• 英文别名: 2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxylic acid
• CAS: 1422206-77-6
• 化学式: C₁₈H₁₅F₃N₄O₃
• 分子量: 392.337
• InChiKey: LEGHJCHOJCLCMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  98.3
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(dimethylamino)-6-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-1H-benzimidazole-4-carboxylic acid 在 盐酸 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 N-(3-chloro-4-methylphenyl)-2-(dimethylamino)-6-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-1H-benzimidazole-4-carboxamide hydrochloride
  参考文献：
  名称：

  HETEROCYCLIC DERIVATIVE AS MICROSOMAL PROSTAGLANDIN E SYNTHASE (mPGEs) INHIBITOR

  摘要：

  公开号：

  EP2746265B1
• 作为产物：
  描述：

  methyl 2-chloro-6-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-1H-benzimidazole-4-carboxylate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 14.0h， 生成 2-(dimethylamino)-6-({[2-(trifluoromethyl)phenyl]carbonyl}amino)-1H-benzimidazole-4-carboxylic acid
  参考文献：
  名称：

  HETEROCYCLIC DERIVATIVE AS MICROSOMAL PROSTAGLANDIN E SYNTHASE (mPGEs) INHIBITOR

  摘要：

  公开号：

  EP2746265B1

文献信息

• Heterocyclic Derivative and Pharmaceutical Drug
  申请人：Otsu Hironori

  公开号：US20140221339A1

  公开（公告）日：2014-08-07

  The present invention provides a novel heterocyclic derivative or a pharmaceutically acceptable salt thereof. For example, the present invention provides a heterocyclic derivative of the general formula [1] or its tautomer, or a pharmaceutically acceptable salt thereof: wherein R 1 and R 2 are the same or different aromatic rings, etc., and ring A is a heterocyclic ring. The compound of the invention or a pharmaceutically acceptable salt thereof has potent mPGES-1 inhibiting activity and is useful as an agent for the treatment or prevention of a disease, such as rheumatoid arthritis, osteoarthritis, temporomandibular joint disorders, low back pain, endometriosis, dysmenorrhea, overactive bladder, malignant tumors or neurodegenerative disease.

  本发明提供了一种新型的杂环衍生物或其药学上可接受的盐。例如，本发明提供了一种通式[1]或其互变异构体的杂环衍生物，或其药学上可接受的盐：其中R1和R2是相同或不同的芳香环等，环A是杂环。本发明的化合物或其药学上可接受的盐具有强效的mPGES-1抑制活性，并可用作治疗或预防疾病的药物，例如类风湿性关节炎、骨关节炎、颞下颌关节紊乱、腰痛、子宫内膜异位症、痛经、过度活动的膀胱、恶性肿瘤或神经退行性疾病的药物。
• Heterocyclic derivative and pharmaceutical drug
  申请人：Otsu Hironori

  公开号：US09216968B2

  公开（公告）日：2015-12-22

  The present invention provides a novel heterocyclic derivative or a pharmaceutically acceptable salt thereof. For example, the present invention provides a heterocyclic derivative of the general formula [1] or its tautomer, or a pharmaceutically acceptable salt thereof: wherein R1 and R2 are the same or different aromatic rings, etc., and ring A is a heterocyclic ring. The compound of the invention or a pharmaceutically acceptable salt thereof has potent mPGES-1 inhibiting activity and is useful as an agent for the treatment or prevention of a disease, such as rheumatoid arthritis, osteoarthritis, temporomandibular joint disorders, low back pain, endometriosis, dysmenorrhea, overactive bladder, malignant tumors or neurodegenerative disease.

  本发明提供一种新型杂环衍生物或其药学上可接受的盐。例如，本发明提供一种通式[1]或其互变异构体的杂环衍生物，或其药学上可接受的盐：其中R1和R2是相同或不同的芳香环等，环A是杂环环。本发明的化合物或其药学上可接受的盐具有强效的mPGES-1抑制活性，并可用作治疗或预防疾病的药物，例如类风湿性关节炎、骨关节炎、颞下颌关节紊乱、腰痛、子宫内膜异位症、痛经、过度活跃膀胱、恶性肿瘤或神经退行性疾病的药物。
• HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL DRUG
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP2746265A1

  公开（公告）日：2014-06-25

  The present invention provides a novel heterocyclic derivative or a pharmaceutically acceptable salt thereof. For example, the present invention provides a heterocyclic derivative of the general formula [1] or its tautomer, or a pharmaceutically acceptable salt thereof: wherein R1 and R2 are same or diferent aromatic ring, etc., and ring A is a heterocyclic ring. The compound of the invention or a pharmaceutically acceptable salt thereof has potent mPGES-1 inhibiting activity and is useful as an agent for the treatment or prevension of a disease, such as rheumatoid arthritis, osteoarthritis, temporomandibular joint disorders, low back pain, endometriosis, dysmenorrhea, overactive bladder, malignant tumors or neurodegenerative disease.

  本发明提供了一种新型杂环衍生物或其药学上可接受的盐。例如，本发明提供了通式[1]的杂环衍生物或其同系物，或其药学上可接受的盐： 其中 R1 和 R2 是相同或不同的芳香环等，环 A 是杂环。 本发明的化合物或其药学上可接受的盐具有强效的 mPGES-1 抑制活性，可用作治疗或预防疾病的药物，如类风湿性关节炎、骨关节炎、颞下颌关节紊乱、腰背痛、子宫内膜异位症、痛经、膀胱过度活动症、恶性肿瘤或神经退行性疾病。
• US9216968B2
  申请人：——

  公开号：US9216968B2

  公开（公告）日：2015-12-22
• US9732066B2
  申请人：——

  公开号：US9732066B2

  公开（公告）日：2017-08-15