3-(2-methoxy-pyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)-nonanoic acid | 312262-24-1

• 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: 3-(2-methoxy-pyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)-nonanoic acid
• 英文别名: 3(R)-(2-Methoxy-pyrimidin-5-yl)-5-oxo-9-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)-nonanoic acid；(3R)-3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid
• CAS: 312262-24-1
• 化学式: C₂₃H₃₀N₄O₄
• 分子量: 426.516
• InChiKey: IFRXHQUZIZZODK-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Phosphoric acid salt of an integrin receptor antagonist
  申请人：Meissner S Robert

  公开号：US20050101593A1

  公开（公告）日：2005-05-12

  The phosphoric acid salt of 3-(2-methoxy-pyrimidin-5-yl)-5-oxo-9-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)-nonanoic acid is a potent antagonist of the integrin αvβ3 receptor and is useful for the prevention and/or treatment of osteoporosis and vascular restenosis, as well as conditions associated with excessive angiogenesis, such as macular degeneration, diabetic retinopathy, atherosclerosis, inflammatory arthritis, cancer, and metastatic tumor growth. The invention also relates to a process for the preparation of the novel salt as well as pharmaceutical compositions and methods of use.

  3-(2-甲氧基嘧啶-5-基)-5-氧代-9-(6,7,8,9-四氢-5H-吡啶[2,3-b]萘-2-基)-壬酸的磷酸盐是一种强效的整合素αvβ3受体拮抗剂，可用于预防和/或治疗骨质疏松症和血管再狭窄，以及与过度血管生成有关的疾病，如黄斑变性，糖尿病视网膜病变，动脉粥样硬化，炎性关节炎，癌症和转移性肿瘤生长。该发明还涉及一种新型盐的制备方法，以及药物组合物和使用方法。
• ALPHA V INTEGRIN RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1187592B1

  公开（公告）日：2007-08-01
• EP1187592A4
  申请人：——

  公开号：EP1187592A4

  公开（公告）日：2002-11-06
• PHOSPHORIC ACID SALT OF AN INTEGRIN RECEPTOR ANTAGONIST
  申请人：Merck & Co., Inc.

  公开号：EP1326615A1

  公开（公告）日：2003-07-16
• US6410526B1
  申请人：——

  公开号：US6410526B1

  公开（公告）日：2002-06-25