5,5-Difluoro-3(R)-(2-methyl-pyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)-nonanoic acid | 393177-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5,5-Difluoro-3(R)-(2-methyl-pyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]-naphthyridin-2-yl)-nonanoic acid
• 英文别名: (3R)-5,5-difluoro-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
• CAS: 393177-68-9
• 化学式: C₂₂H₂₈F₂N₄O₂
• 分子量: 418.487
• InChiKey: IUMTZTDHRBEIOK-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  88
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Alpha v integrin receptor antagonists
  申请人：——

  公开号：US20040038963A1

  公开（公告）日：2004-02-26

  The present invention relates to novel chain-fluorinated alkanoic acid derivatives thereof, their synthesis, and their use as &agr;v integrin receptor antagonists. More particularly, the compounds of the present invention are antagonists of the integrin receptors &agr;v&bgr;3 and/or &agr;v&bgr;5 and are useful for inhibiting bone resorption, treating and preventing osteoporosis, and inhibiting vascular restenosis, diabetic retinopathy, macular degeneration, angiogenesis, atherosclerosis, inflammation, inflammatory arthritis, viral disease, cancer, and metastatic tumor growth.

  本发明涉及新型链氟化烷酸衍生物及其合成，以及其作为αv整合素受体拮抗剂的用途。更具体地说，本发明的化合物是αvβ3和/或αvβ5整合素受体的拮抗剂，可用于抑制骨吸收，治疗和预防骨质疏松症，抑制血管再狭窄，糖尿病视网膜病变，黄斑变性，血管生成，动脉粥样硬化，炎症，炎症性关节炎，病毒性疾病，癌症和转移性肿瘤生长。
• EP1315501A4
  申请人：——

  公开号：EP1315501A4

  公开（公告）日：2005-03-23
• ALPHA V INTEGRIN RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1315501B1

  公开（公告）日：2007-02-07
• US7056909B2
  申请人：——

  公开号：US7056909B2

  公开（公告）日：2006-06-06
• [EN] ALPHA V INTEGRIN RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES RECEPTEURS ALPHA V D'INTEGRINE
  申请人：MERCK & CO INC

  公开号：WO2002007730A1

  公开（公告）日：2002-01-31

  The present invention relates to novel chain-fluorinated alkanoic acid derivatives thereof, their synthesis, and their use as αv integrin receptor antagonists. More particularly, the compounds of the present invention are antagonists of the integrin receptors αvβ3 and/or αvβ5 and are useful for inhibiting bone resorption, treating and preventing osteoporosis, and inhibiting vascular restenosis, diabetic retinopathy, macular degeneration, angiogenesis, atherosclerosis, inflammation, inflammatory arthritis, viral disease, cancer, and metastatic tumor growth.