2-Acetamido-3-methyl-3-nitrososulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide | 214193-25-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Acetamido-3-methyl-3-nitrososulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
• CAS: 214193-25-6
• 化学式: C₁₃H₂₃N₃O₈S
• 分子量: 381.4
• InChiKey: QNMMQEFPNFRVFP-HCTIOZQGSA-N

物化性质

• 密度：
  1?+-.0.1 g/cm3(Predicted)
• 溶解度：
  溶于甲醇、水

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  203
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• [EN] BINARY COMPOSITIONS COMPRISING AN NO-DONOR AND AN A-SMASE INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES<br/>[FR] COMPOSITIONS BINAIRES COMPRENANT UN DONNEUR D'OXYDE NITRIQUE ET UN INHIBITEUR DE L'A-SMASE, SERVANT AU TRAITEMENT DE MALADIES RESPIRATOIRES
  申请人：PHARMAPATENTS GLOBAL LTD

  公开号：WO2010035047A1

  公开（公告）日：2010-04-01

  The present invention relates to a pharmaceutical composition comprising an A-SMase inhibitor and/or a NO-donor. Preferred A-SMase inhibitors are tricyclic antidepressants, most preferably amitriptyline. A preferred NO-donor is arginine. Preferably the pharmaceutical composition comprises an A-SMase inhibitor and a NO-donor, which preferably act synergistically to inhibit A-SMase. The pharmaceutical composition is suitable for treating or preventing respiratory disorders such as chronic cough, cystic fibrosis, chronic obstructive pulmonary disease, idiopathic pulmonary fibrosis and emphysema. Preferably the pharmaceutical composition is administered by inhalation. The present invention also relates to methods of treating or preventing respiratory disorders, methods of inhibiting A-SMase, and assays for investigating the effect of test compounds upon A-SMase activity in vitro.