(S)-4-Benzyl-3-{(R)-2-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-pent-4-enoyl}-oxazolidin-2-one | 227938-78-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-4-Benzyl-3-{(R)-2-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-pent-4-enoyl}-oxazolidin-2-one
• 英文别名: (4S)-4-benzyl-3-[(2R)-2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pent-4-enoyl]-1,3-oxazolidin-2-one
• CAS: 227938-78-5
• 化学式: C₂₂H₂₉NO₅
• 分子量: 387.476
• InChiKey: FDUNHPIDAPXEGU-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-4-Benzyl-3-{(R)-2-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-pent-4-enoyl}-oxazolidin-2-one 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 三乙酰氧基硼氢化钠 、 对甲苯磺酸 、 臭氧 、 DL-脯氨酸 作用下， 以 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 3.0h， 生成 (3S)-3-{(3R)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl}-3-quinolin-3-ylpropanoic acid
  参考文献：
  名称：

  Non-peptide α v β 3 antagonists: Identification of potent, chain-shortened RGD mimetics that incorporate a central pyrrolidinone constraint

  摘要：

  Antagonists of the integrin receptor alpha(nu)beta(3) are expected to have utility in the treatment of osteoporosis through inhibition of bone resorption. A series of potent, chain-shortened, pyrrolidinone-containing alpha(nu)beta(3) receptor antagonists is described. Two sets of diasteromeric pairs of high-affinity antagonists demonstrated marked differences in log P values, which translated into differing dog pharmacokinctic properties. One member of this set was demonstrated to be effective in reducing bone resorption in rats. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.055
• 作为产物：
  描述：

  1-(4-(S)-benzyl-2-oxo-oxazolidin-3-yl)-heptane-1,6-dione 在 对甲苯磺酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 (S)-4-Benzyl-3-{(R)-2-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-pent-4-enoyl}-oxazolidin-2-one
  参考文献：
  名称：

  Non-peptide α v β 3 antagonists: Identification of potent, chain-shortened RGD mimetics that incorporate a central pyrrolidinone constraint

  摘要：

  Antagonists of the integrin receptor alpha(nu)beta(3) are expected to have utility in the treatment of osteoporosis through inhibition of bone resorption. A series of potent, chain-shortened, pyrrolidinone-containing alpha(nu)beta(3) receptor antagonists is described. Two sets of diasteromeric pairs of high-affinity antagonists demonstrated marked differences in log P values, which translated into differing dog pharmacokinctic properties. One member of this set was demonstrated to be effective in reducing bone resorption in rats. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.055

文献信息

• Macrocyclic inhibitors of flaviviridae viruses
  申请人：Cypralis Limited

  公开号：US10472392B2

  公开（公告）日：2019-11-12

  Provided are compounds of Formula I: and pharmaceutically acceptable salts and esters thereof. The compounds, compositions, and methods provided are useful for the treatment of virus infections, particularly hepatitis C infections.

  本文提供了式 I 的化合物及其药学上可接受的盐类和酯类。 所提供的化合物、组合物和方法可用于治疗病毒感染，尤其是丙型肝炎感染。