3-(1H-Imidazol-4-yl)benzoic Acid | 912569-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(1H-Imidazol-4-yl)benzoic Acid
• 英文别名: 3-(1H-imidazol-5-yl)benzoic acid
• CAS: 912569-71-2
• 化学式: C₁₀H₈N₂O₂
• 分子量: 188.18
• InChiKey: BHMXPHTWXBSXAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors
  申请人：BAGLEY SCOTT WILLIAM

  公开号：US20110111046A1

  公开（公告）日：2011-05-12

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R 1 , R 2 , R 3 and R 4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl-CoA carboxylase enzyme(s) in an animal.

  该发明提供了化合物I的化合物或其药用可接受的盐，其中R1、R2、R3和R4如本文所述；以及其药物组合物；以及在治疗受乙酰辅酶A羧化酶抑制调节的动物疾病、症状或紊乱中的使用。
• [EN] N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS<br/>[FR] INHIBITEURS DE N2-PYRAZOLOSPIROCÉTONE ACÉTYL-COA CARBOXYLASE
  申请人：PFIZER

  公开号：WO2011058473A1

  公开（公告）日：2011-05-19

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of said compound, wherein R1, R2, R3 and R4 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl- CoA carboxylase enzyme(s) in an animal.

  该发明提供了化合物(I)的结构或该化合物的药用盐，其中R1、R2、R3和R4如本文所述；以及其药物组合物；以及在治疗受乙酰辅酶A羧化酶抑制调节的动物疾病、症状或紊乱中的应用。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：AMURA THERAPEUTICS LTD

  公开号：WO2009112839A1

  公开（公告）日：2009-09-17

  A first aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt, hydrate, complex or pro-drug thereof, wherein: R3 is selected from cyclopentyl and cyclohexyl; R9 is a substituted 5 or 6-membered aryl or heteroaryl group or a 6,5- or 6,6-fused biaryl or heterobiaryl group. Compounds of formula (I) exhibit surprisingly high dual efficacies for human cathepsin S and K and are useful for the treatment of rheumatoid arthritis, osteoarthritis, chronic obstructive pulmonary disease (COPD), atherosclerosis, cardiovascular diseases which exhibit significant damage and remodeling of extracellular matrix (ECM) and chronic pain.

  本发明的第一个方面涉及公式(I)的化合物，或其药学上可接受的盐、水合物、复合物或前药，其中：R3选自环戊基和环己基；R9是取代的5或6成员芳基或杂芳基或6,5-或6,6-融合的双芳基或双杂芳基。公式(I)的化合物表现出对人类卡特普汀S和K的惊人双重功效，并可用于治疗类风湿性关节炎、骨关节炎、慢性阻塞性肺病（COPD）、动脉粥样硬化、心血管疾病，这些疾病表现出显着的细胞外基质（ECM）的损伤和重塑以及慢性疼痛。
• [EN] FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS<br/>[FR] FURO[3,2-B]PYRROL-3-ONES EN TANT QU'INHIBITEURS DE CATHÉPSINE S
  申请人：AMURA THERAPEUTICS LTD

  公开号：WO2009112826A1

  公开（公告）日：2009-09-17

  A first aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt, hydrate, complex or pro-drug thereof, wherein: one of R3 and R4 is H, and the other is selected from C1-6-alkyl, C1-6-haloalkyl, C1-6- alkoxy, and C6-12-aralkyl; or R3 and R4 are each independently selected from C1-6-aIkyl and halo; R9 is a substituted 5 or 6-membered aryl or heteroaryl group or a 6,5- or 6,6-fused biaryl or heterobiaryl group. Compounds of formula (I) exhibit surprisingly high efficacies for human cathepsin S, excellent selectivity verses other mammalian cathepsins and are useful for treatment of diseases such as rheumatoid arthritis, multiple sclerosis, myasthenia gravis, transplant rejection, diabetes, Sjogrens syndrome, Grave's disease, systemic lupus erythematosis, osteoarthritis, psoriasis, idiopathic thrombocytopenic purpura, allergic rhinitis, asthma, atherosclerosis, obesity, chronic obstructive pulmonary disease and chronic pain.

  本发明的第一个方面涉及式（I）的化合物，或其药学上可接受的盐，水合物，复合物或前药，其中：R3和R4中的一个为H，另一个选自C1-6烷基，C1-6卤代烷基，C1-6烷氧基和C6-12芳基烷基; 或R3和R4各自独立地选自C1-6烷基和卤素; R9是取代的5或6成员芳基或杂芳基或6,5-或6,6-融合的双芳基或双杂芳基。式（I）的化合物表现出对人类卡特普辛S的惊人高效性，对其他哺乳动物卡特普辛具有优异的选择性，并可用于治疗风湿性关节炎，多发性硬化症，重症肌无力，移植排斥反应，糖尿病，Sjogrens综合症，Grave病，系统性红斑狼疮，骨关节炎，银屑病，特发性血小板减少性紫癜，过敏性鼻炎，哮喘，动脉粥样硬化，肥胖症，慢性阻塞性肺疾病和慢性疼痛等疾病的治疗。
• IDO Inhibitors
  申请人：Mautino Mario R.

  公开号：US20110136796A1

  公开（公告）日：2011-06-09

  Presently provided are compounds according to the formula (I) or (II), and pharmaceutical compositions comprising the compounds, wherein R 1 , R 4 , and R 5 are defined herein. Such compounds and compositions are useful for modulating an activity of indoleamine 2,3-dioxygenase; treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression; treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine -2,3-dioxygenase; enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent; treating tumor-specific immunosuppression associated with cancer; and treating immunosupression associated with an infectious disease.

  目前提供了按照公式(I)或(II)定义的化合物以及含有这些化合物的药物组合物，其中R1、R4和R5的定义在此处。这些化合物和组合物对于调节吲哚胺2,3-二氧化酶的活性；治疗吲哚胺2,3-二氧化酶(IDO)介导的免疫抑制；治疗从抑制吲哚胺-2,3-二氧化酶的酶活性中获益的医疗状况；增强包括给予抗癌剂的抗癌治疗的有效性；治疗与癌症相关的肿瘤特异性免疫抑制；以及治疗与传染性疾病相关的免疫抑制具有用处。