diphenylmethyl 2,6-anhydro-3,7-dideoxy-3-(2,2-difluorotetradecanamido)-5-O-diphenylphosphono-4-O-[(R)-3-(dodecyloxy)tetradecyl]-7-fluoro-D-glycero-D-ido-heptonate | 338951-89-6

• 分子结构分类: 有机化合物
• 英文名称: diphenylmethyl 2,6-anhydro-3,7-dideoxy-3-(2,2-difluorotetradecanamido)-5-O-diphenylphosphono-4-O-[(R)-3-(dodecyloxy)tetradecyl]-7-fluoro-D-glycero-D-ido-heptonate
• CAS: 338951-89-6
• 化学式: C₇₂H₁₀₇F₃NO₁₀P
• 分子量: 1234.61
• InChiKey: CDIUKUZOZPZQAK-SKBGENLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.14
• 重原子数：
  87.0
• 可旋转键数：
  50.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  127.85
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  diphenylmethyl 2,6-anhydro-3,7-dideoxy-3-(2,2-difluorotetradecanamido)-5-O-diphenylphosphono-4-O-[(R)-3-(dodecyloxy)tetradecyl]-7-fluoro-D-glycero-D-ido-heptonate 在 palladium dihydroxide 氢气 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以72%的产率得到2,6-anhydro-3,7-dideoxy-3-(2,2-difluorotetradecanamido)-5-O-diphenylphosphono-4-O-[(R)-3-(dodecyloxy)tetradecyl]-7-fluoro-D-glycero-D-ido-heptonic acid
  参考文献：
  名称：

  Synthesis of GLA-60 type pyran carboxylic acids with an alkyl chain instead of an ester chain as LPS-antagonists

  摘要：

  Synthesis of GLA-60 type pyran carboxylic acid analogues with an alkyl chain instead of an ester chain and their LPS-antagonist activity toward human U937 cells are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(01)00055-6
• 作为产物：
  描述：

  diphenylmethyl 2,6-anhydro-7-O-tert-butyldimethylsilyl-3-deoxy-3-(2,2-difluorotetradecanamido)-5-O-diphenylphosphono-4-O-[(R)-3-(dodecyloxy)tetradecyl]-D-glycero-D-ido-heptonate 在 盐酸 、 水 、 4,4'-二氨基二苯乙烯-2,2'-二磺酸 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 8.0h， 生成 diphenylmethyl 2,6-anhydro-3,7-dideoxy-3-(2,2-difluorotetradecanamido)-5-O-diphenylphosphono-4-O-[(R)-3-(dodecyloxy)tetradecyl]-7-fluoro-D-glycero-D-ido-heptonate
  参考文献：
  名称：

  Synthesis of GLA-60 type pyran carboxylic acids with an alkyl chain instead of an ester chain as LPS-antagonists

  摘要：

  Synthesis of GLA-60 type pyran carboxylic acid analogues with an alkyl chain instead of an ester chain and their LPS-antagonist activity toward human U937 cells are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0008-6215(01)00055-6