[2-Oxo-4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-butyl]-phosphonic Acid Dimethyl Ester | 312263-00-6

• 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: [2-Oxo-4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-butyl]-phosphonic Acid Dimethyl Ester
• 英文别名: [2-Oxo4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-butyl]-phosphonic acid dimethyl ester；1-dimethoxyphosphoryl-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-2-one
• CAS: 312263-00-6
• 化学式: C₁₄H₂₁N₂O₄P
• 分子量: 312.305
• InChiKey: MXVKGTCMIWSVOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-Oxo-4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-butyl]-phosphonic Acid Dimethyl Ester 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-3-(6-Methoxy-pyridin-3-yl)-7-oxo-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid ethyl ester
  参考文献：
  名称：

  Nonpeptide αvβ3 antagonists: identification of potent, chain-shortened 7-oxo RGD mimetics

  摘要：

  Potent, novel 7-oxo alpha(v)beta(3) antagonists have been prepared. These antagonists offer decreased plasma protein binding and excellent pharmacokinetic profiles. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.051
• 作为产物：
  描述：

  3-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-acrylic Acid Ethyl Ester 在 palladium on activated charcoal 正丁基锂 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 [2-Oxo-4-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-butyl]-phosphonic Acid Dimethyl Ester
  参考文献：
  名称：

  Nonpeptide αvβ3 antagonists: identification of potent, chain-shortened 7-oxo RGD mimetics

  摘要：

  Potent, novel 7-oxo alpha(v)beta(3) antagonists have been prepared. These antagonists offer decreased plasma protein binding and excellent pharmacokinetic profiles. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.051

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。
• &agr;v integrin receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US06410526B1

  公开（公告）日：2002-06-25

  The present invention relates to novel nonanoic acid derivatives, 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 &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.

  本发明涉及新颖的壬酸衍生物，它们的合成以及它们作为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。
• ALPHA V INTEGRIN RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1315501B1

  公开（公告）日：2007-02-07
• Nonpeptide αvβ3 antagonists: identification of potent, chain-shortened 7-oxo RGD mimetics
  作者：Amy E. Zartman、Le T. Duong、Carmen Fernandez-Metzler、George D. Hartman、Chih-Tai Leu、Thomayant Prueksaritanont、Gideon A. Rodan、Sevgi B. Rodan、Mark E. Duggan、Robert S. Meissner

  DOI：10.1016/j.bmcl.2005.01.051

  日期：2005.3

  Potent, novel 7-oxo alpha(v)beta(3) antagonists have been prepared. These antagonists offer decreased plasma protein binding and excellent pharmacokinetic profiles. (c) 2005 Elsevier Ltd. All rights reserved.