4-[[2-[(2-Cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 4-[[2-[(2-Cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
• 化学式: C₂₂H₁₅N₃O₃S₂
• mdl: MFCD05032783
• 分子量: 433.5
• InChiKey: UWWSCLNCHCROLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Compounds for inhibiting mammalian s-nitrosoglutathione reductase
  申请人：Indiana University Research and Technology Corporation

  公开号：EP2581451A1

  公开（公告）日：2013-04-17

  The current study reports novel inhibitors of s-nitrosoglutathione reductase (GSNOR) identified that specifically inhibit GSNOR among the alcohol dehydrogenases. These inhibitors may bind into the GSNO binding site and inhibit GSNOR at multiple places in its kinetic pathway. These molecules inhibit GSNOR in a dose dependent manner and demonstrate that GSNOR actively regulates the s-nitrosylation of proteins against incoming low molecular weight nitrosothiols. These compounds are useful in method of treatment of diseases such as asthma, chronic obstructive pulmonary disease, heart disease, heart failure, heart attack, hypertension, atherosclerosis, restenosis, impotence, Parkinson's disease, Alzheimer's disease, amyotrophic lateral sclerosis, stroke, septic shock, cardiogenic shock, endotoxic shock, toxic shock syndrome, systemic inflammatory response syndrome, and other inflammatory diseases. These compounds can also be used to diagnose and/or study disease and/or conditions or enzymes involving the s-nitrosylation of proteins.

  目前的研究报告发现了新型亚硝基谷胱甘肽还原酶（GSNOR）抑制剂，这些抑制剂能在醇脱氢酶中特异性地抑制 GSNOR。这些抑制剂可能与 GSNO 结合位点结合，并在 GSNOR 的动力学途径中的多个位置对其产生抑制作用。这些分子以剂量依赖的方式抑制 GSNOR，并证明 GSNOR 能积极调节蛋白质的 s-亚硝基化，使其免受低分子量亚硝硫醇的影响。这些化合物可用于治疗各种疾病，如哮喘、慢性阻塞性肺病、心脏病、心力衰竭、心脏病发作、高血压、动脉粥样硬化、血管再狭窄、阳痿、帕金森病、阿尔茨海默病、肌萎缩性脊髓侧索硬化症、中风、脓毒性休克、心源性休克、内毒素休克、中毒性休克综合征、全身炎症反应综合征和其他炎症性疾病。这些化合物还可用于诊断和/或研究涉及蛋白质 s-亚硝基化的疾病和/或病症或酶。
• US9198909B1
  申请人：——

  公开号：US9198909B1

  公开（公告）日：2015-12-01
• [EN] MATERIALS AND METHODS FOR INHIBITING MAMMALIAN S-NITROSOGLUTATHIONE REDUCTASE<br/>[FR] MATÉRIAUX ET MÉTHODES POUR INHIBER LA S-NITROSOGLUTATHIONE RÉDUCTASE DE MAMMIFÈRE
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2009076665A1

  公开（公告）日：2009-06-18

  Novel inhibitors of s-nitrosoglutathione reductase (GSNOR) are disclosed that specifically inhibit GSNOR among the alcohol dehydrogenases; methods of using these and related molecules are also disclosed. These inhibitors may interact with the GSNO binding site and inhibit GSNOR at multiple places in its kinetic pathway. These molecules inhibit GSNOR in a dose-dependent manner and demonstrate that GSNOR actively regulates the s-nitrosylation of proteins against incoming low molecular weight nitrosothiols. These compounds are useful in methods of treating, diagnosing and studying various conditions and diseases, including but not limited to Cardiovascular Diseases, Pulmonary Diseases, Urogenital Diseases, Neurologic Diseases, Inflammatory Diseases, and Oncologic Diseases, as well as various genetic conditions. Innovative uses for these compounds include using them to study enzymes involving the s-nitrosylation of proteins and various cellular processes that involve or that are thought to involve the activity of these enzymes.