methyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(methoxysulfonyloxy)-2-(methoxysulfonyloxymethyl)oxan-3-yl]oxy-2-methoxycarbonyloxan-3-yl]oxy-4,5-bis(methoxysulfonyloxy)-2-(methoxysulfonyloxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxysulfonyloxymethyl)-5-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(methoxysulfonyloxy)-2-(methoxysulfonyloxymethyl)oxan-3-yl]oxy-2-methoxycarbonyloxan-3-yl]oxy-4,5-bis(methoxysulfonyloxy)-2-(methoxysulfonyloxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxysulfonyloxymethyl)-5-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylate
• 化学式: C₅₅H₉₈O₅₂S₇
• 分子量: 1815.8
• InChiKey: PGYIOWVAASQNNX-UZMZLMISSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  114
• 可旋转键数：
  55
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  664
• 氢给体数：
  0
• 氢受体数：
  52

文献信息

• KISSPEPTIDE-PENTASACCHARIDE CONJUGATES
  申请人：Blomenrohr Marion

  公开号：US20140206627A1

  公开（公告）日：2014-07-24

  The invention relates to kisspeptide-pentasaccharide conjugates having the general formula (I) wherein Z 1 is Tyr or D-Tyr; Z 3 is Trp, Hyp, Phe or Lys(R 2 ); Z 5 is Thr, Aib or Ala; Z 7 is Gly or azaGly; Z 8 is Leu; or Z 7 and Z 8 together represent; Z 10 is Phe or Trp; n is 0 or 1; or R 2 , when present, represents a pentasaccharide derivative having the formula (II) wherein R is methyl or SO 3 X; X is a positively charged counterion; with the proviso that when R 2 is present, R 1 is H or (C 1-6 ) alkylcarbonyl; R 3 is H or (C 1-3 )alkyl; and L represents a pharmacologically inactive linker moiety having 10-50 atoms; or a pharmaceutically acceptable salt thereof; to pharmaceutical compositions comprising the same as well as to the use of said kisspeptide-pentasaccharide conjugates in the treatment of female infertility.
• US9127038B2
  申请人：——

  公开号：US9127038B2

  公开（公告）日：2015-09-08