2-(2-Nitroso-2-adamantyl)ethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(2-Nitroso-2-adamantyl)ethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
• 英文别名: 2-(2-nitroso-2-adamantyl)ethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
• 化学式: C₃₂H₄₅NO₃
• 分子量: 491.7
• InChiKey: XZHQWXCPGYBFEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Nitrosated and nitrosylated compounds, compositions and methods use
  申请人：Earl A. Richard

  公开号：US20060009431A1

  公开（公告）日：2006-01-12

  The invention describes novel nitrosated and/or nitrosylated compounds of the invention, and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated compound of the invention, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one compound of the invention, that is optionally nitrosated and/or nitrosylated, and at least one nitric oxide donor compound and/or at least one therapeutic agent. The compounds and compositions of the invention can also be bound to a matrix. The invention also provides methods for treating cardiovascular diseases, for inhibiting platelet aggregation and platelet adhesion caused by the exposure of blood to a medical device, for treating pathological conditions resulting from abnormal cell proliferation; transplantation rejections, autoimmune, inflammatory, proliferative, hyperproliferative or vascular diseases; for reducing scar tissue or for inhibiting wound contraction, particularly the prophylactic and/or therapeutic treatment of restenosis by administering at least one compound of the invention that is optionally nitrosated and/or nitrosylated, in combination with nitric oxide donors that are capable of releasing nitric oxide or indirectly delivering or transferring nitric oxide to targeted sites under physiological conditions. The compounds of the invention are preferably estradiol compounds, troglitazone compounds, tranilast compounds, retinoic acid compounds, resveratol compounds, myophenolic acid compounds, acid compounds, anthracenone compounds and trapidil compounds.

  该发明描述了该发明的新型亚硝酰化和/或亚硝基化化合物及其药学上可接受的盐，并且描述了包含至少一种该发明的亚硝酰化和/或亚硝基化化合物的新型组合物，以及可选地包含至少一种一氧化氮供体化合物和/或至少一种治疗剂的新型组合物。该发明还提供了包含至少一种该发明化合物的新型组合物，该化合物可选地亚硝酰化和/或亚硝基化，以及至少一种一氧化氮供体化合物和/或至少一种治疗剂。该发明的化合物和组合物也可以与基质结合。该发明还提供了治疗心血管疾病、抑制血液暴露于医疗设备导致的血小板聚集和粘附、治疗由异常细胞增殖引起的病理性状况；移植排斥、自身免疫、炎症、增殖、过度增殖或血管疾病；减少瘢痕组织或抑制伤口收缩，特别是通过在生理条件下给予至少一种可选地亚硝酰化和/或亚硝基化的该发明化合物与能够释放一氧化氮或在生理条件下间接传递或传递一氧化氮到靶位点的一氧化氮供体的组合物来预防和/或治疗再狭窄的预防性和/或治疗性治疗的方法。该发明的化合物首选为雌二醇化合物、曲格列酮化合物、曲安奈德化合物、视黄酸化合物、白藜芦醇化合物、肌酚酸化合物、酸化合物、蒽酮化合物和曲唑酮化合物。