3-[5-(4-甲氧基苯基)-1H-2-吡咯]-丙酸 | 431987-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 3-[5-(4-甲氧基苯基)-1H-2-吡咯]-丙酸
• 英文名称: 3-[5-(4-Methoxy-phenyl)-1H-pyrrol-2-yl]-propionic acid
• 英文别名: 3-[5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
• CAS: 431987-06-3
• 化学式: C₁₄H₁₅NO₃
• mdl: MFCD02257801
• 分子量: 245.27
• InChiKey: TWZMVQARIIRSDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  62.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

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。
• Castration-Resistant Prostate Cancer
  申请人：NUtech Ventures

  公开号：US20160310528A1

  公开（公告）日：2016-10-27

  This invention relates to inhibitors of UDP-glucose dehydrogenase, and more particularly to UDP-glucose dehydrogenase inhibitors that are useful in the treatment of prostate cancer. Methods of inhibiting UDP-glucose dehydrogenase and improving the efficacy of additional prostate cancer therapies are also provided.