2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid amide | 1075753-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid amide
• 英文别名: 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide；2-oxo-2,3-dihYdro-1H-13-benzimidazole-5-carboxamide；2-keto-2,3-dihydro-1H-benzoimidazole-5-carboxamide；oxy-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide；2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide；5-carbamoyl-1,3-dihydro-2H-benzimidazol-2-one；6-carbamoyl-1,3-dihydro-2H-benzimidazol-2-one；2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
• CAS: 1075753-21-7
• 化学式: C₈H₇N₃O₂
• mdl: MFCD17170818
• 分子量: 177.162
• InChiKey: CQXZYIWSYIETKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid amide 在 N,N-二甲基苯胺 、 三氯氧磷 作用下， 生成 2-chloro-3H-benzimidazole-5-carboxamide
  参考文献：
  名称：

  Design, syntheses, and structure–activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole derivatives

  摘要：

  Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists (2 and 3). By optimizing substituents on the benzimidazole core part of the lead compound 5a, we were able to develop a potent, orally available, and brain-penetrable Y5 selective antagonist (5k). Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.018

文献信息

• [EN] INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS INDAZOLE COMME ANTAGONISTES DES RÉCEPTEURS CCR1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009134666A1

  公开（公告）日：2009-11-05

  Disclosed indazoles compounds that are useful as antagonists of CCR1 activity and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  揭示了吲唑烯化合物，其作为CCR1活性拮抗剂是有用的，因此可用于治疗通过CCR1活性介导或维持的多种疾病和疾病，包括自身免疫疾病，如类风湿性关节炎和多发性硬化症。还披露了包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• Modulators of VR1 receptor
  申请人：Makings R. Lewis

  公开号：US20050004133A1

  公开（公告）日：2005-01-06

  The present invention relates to compounds useful as modulators of the vanilloid receptor, and also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及一种作为vanilloid受体调节剂有用的化合物，并且提供了包括本发明化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病的方法。
• Indazole Compounds As CCR1 Receptor Antagonists
  申请人：KUZMICH Daniel

  公开号：US20110294808A1

  公开（公告）日：2011-12-01

  Disclosed indazoles compounds that are useful as antagonists of CCR1 activity and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of CCR1 including autoimmune diseases, such as rheumatoid arthritis and multiple sclerosis. Also disclosed are pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  公开了一种吲唑化合物，可用作CCR1活性的拮抗剂，因此可用于治疗通过CCR1活性介导或维持的各种疾病和障碍，包括自身免疫性疾病，如类风湿性关节炎和多发性硬化症。还公开了包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1221443A1

  公开（公告）日：2002-07-10

  This invention relates to the compounds represented by the general formula [I],    [in which A-D signify optionally substituted methine group(s) or nitrogen atom; E signifies oxygen or sulfur atom; signify optionally substituted mono- or bi-cyclic aliphatic nitrogen-containing heterocyclic group(s); R1 signifies lower alkenyl, lower alkynyl, cyclo(lower alkyl), lower alkanoyl, lower alkoxycarbonyl, optionally substituted lower alkyl and the like; and R2 signifies lower alkyl]. The compounds of the present invention exhibit an action to stimulate muscarinic acetylcholine receptors M4, and are useful as analgesic for diseases accompanying pain such as cancerous pain, migraine, gout, chronic rheumatism, chronic pain or neuralgia; or as agents for treating tolerance to narcotic analgesics represented by morphine, dependence on narcotic analgesics represented by morphine, itching, dementia, irritable bowel syndrome, schizophrenia, glaucoma, pollakiuria, urinary incontinence, cholelithiasis, cholecystitis, functional dyspepsia and reflux esophagitis.

  本发明涉及通式[I]所代表的化合物、 [其中 A-D 表示任选取代的甲基或氮原子；E 表示氧原子或硫原子； 表示任选取代的单环或双环脂肪族含氮杂环基团；R1 表示低级烯基、低级炔基、环（低级烷基）、低级烷酰基、低级烷氧羰基、任选取代的低级烷基等；R2 表示低级烷基]。 本发明的化合物具有刺激毒蕈碱乙酰胆碱受体 M4 的作用，可作为镇痛剂用于治疗伴随疼痛的疾病，如癌性疼痛、偏头痛、痛风、慢性风湿病、慢性疼痛或神经痛；或作为治疗对以吗啡为代表的麻醉性镇痛剂的耐受性、对以吗啡为代表的麻醉性镇痛剂的依赖性、瘙痒、痴呆、肠易激综合征、精神分裂症、青光眼、花斑尿、尿失禁、胆石症、胆囊炎、功能性消化不良和反流性食管炎的药物。
• MODULATORS OF VR1 RECEPTOR
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1628661A2

  公开（公告）日：2006-03-01