N,N-diethylethanamine;[(2R,3S,4S,5S,6R)-3-hydroxy-5-[hydroxy(methoxy)phosphoryl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 4-methylbenzoate | 1044566-40-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N-diethylethanamine;[(2R,3S,4S,5S,6R)-3-hydroxy-5-[hydroxy(methoxy)phosphoryl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 4-methylbenzoate
• CAS: 1044566-40-6
• 化学式: C₆H₁₅N*C₁₆H₂₃O₁₀P
• 分子量: 507.518
• InChiKey: HKAFGPISDWJDSQ-PTLMBHJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.32
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 以 水 为溶剂， 反应 16.0h， 以7 mg的产率得到N,N-diethylethanamine;[(2R,3S,4S,5S,6R)-3-hydroxy-5-[hydroxy(methoxy)phosphoryl]oxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 4-methylbenzoate
  参考文献：
  名称：

  Protein subtype-targeting through ligand epimerization: Talose-selectivity of galectin-4 and galectin-8

  摘要：

  A series of O2 and O3-derivatized methyl beta-D-talopyranosides were synthesized and evaluated in vitro as inhibitors of the galactose-binding galectin-1, -2, -3, -4 ( N- and C-terminal domains), 8 ( N- terminal domain), and 9 ( N- terminal domain). Galectin-4C and 8N were found to prefer the D-talopyranose configuration to the natural ligand D-galactopyranose configuration. Derivatization at talose O2 and/or O3 provided selective submillimolar inhibitors for these two galectins. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.066