(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3R,4S,5R,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4-dimethoxy-5-[2-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethoxy]ethoxy]-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-6-[(2R,3R,4S,5R,6S)-4,6-dimethoxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4-dimethoxy-5-[2-[2-[2-[2-(pent-4-ynoylamino)ethoxy]ethoxy]ethoxy]ethoxy]-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid
• 化学式: C₅₁H₈₅NO₅₀S₆
• 分子量: 1704.6
• InChiKey: ZXJVEPXTAMVEEJ-HVBZKXMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.3
• 重原子数：
  108
• 可旋转键数：
  48
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  729
• 氢给体数：
  9
• 氢受体数：
  50

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