(5R)-3-[3,5-difluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one | 741238-73-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5R)-3-[3,5-difluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one
• CAS: 741238-73-3
• 化学式: C₁₇H₁₆F₂N₄O₃S
• 分子量: 394.402
• InChiKey: VAHYIRJLAXBFIL-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (5R)-3-[3,5-difluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one 在 4-二甲氨基吡啶 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (5R)-3-[3,5-difluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)oxazolidin-2-one
  参考文献：
  名称：

  New classes of antibacterial oxazolidinones with C-5, methylene O-Linked heterocyclic side chains

  摘要：

  Exploration of the structure-activity relationships of the traditional C-5 acetamidomethyl side chain of the oxazolidonone antibacterials has yielded new, potent series of compounds of which the first examples, the O-linked iosoxazoles are described in detail, leading to the selection of the pre-clinical candidate AZD2563. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.033
• 作为产物：
  描述：

  MMV687729 在 偶氮二甲酸二异丙酯 、 三苯基膦 、 3-氧代丁酰氯 作用下， 以 甲醇 为溶剂， 生成 (5R)-3-[3,5-difluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one
  参考文献：
  名称：

  New classes of antibacterial oxazolidinones with C-5, methylene O-Linked heterocyclic side chains

  摘要：

  Exploration of the structure-activity relationships of the traditional C-5 acetamidomethyl side chain of the oxazolidonone antibacterials has yielded new, potent series of compounds of which the first examples, the O-linked iosoxazoles are described in detail, leading to the selection of the pre-clinical candidate AZD2563. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.033

文献信息

• New classes of antibacterial oxazolidinones with C-5, methylene O-Linked heterocyclic side chains
  作者：Michael B Gravestock、David G Acton、Michael J Betts、Michael Dennis、Glenn Hatter、Alexandra McGregor、Michael L Swain、R.Geoffrey Wilson、Lisa Woods、Alan Wookey

  DOI：10.1016/j.bmcl.2003.07.033

  日期：2003.12

  Exploration of the structure-activity relationships of the traditional C-5 acetamidomethyl side chain of the oxazolidonone antibacterials has yielded new, potent series of compounds of which the first examples, the O-linked iosoxazoles are described in detail, leading to the selection of the pre-clinical candidate AZD2563. (C) 2003 Elsevier Ltd. All rights reserved.