estrone-3-O-acyl-tyrosyl-arginine

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: estrone-3-O-acyl-tyrosyl-arginine
• 英文别名: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]pentanoic acid
• 化学式: C₃₅H₄₅N₅O₇
• 分子量: 647.772
• InChiKey: NCKYJCXGUWFQBC-AILDFFDLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  206
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-O-carbethoxymethylestrone 在 palladium on activated charcoal 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 24.0h， 生成 estrone-3-O-acyl-tyrosyl-arginine
  参考文献：
  名称：

  Synthesis and analgesic effects of kyotorphin—steroid linkers

  摘要：

  Kyotorphin (KTP, H-Tyr-Arg-OH) was covalently bonded with hydrocortisone or estrone to form the corresponding hydrocortisone-21-O-yl-succinyl-Tyr-ArgOH or estrone-3-O-yl-acyl-Tyr-Arg-OH. Their analgesic activities were investigated using the tail flick test. The potency of the two linkers were significantly higher than that of KTP and the mixture of KTP and hydrocortisone or estrone in the CNS and/or the periphery administration. (C) 2001 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(01)00112-x

文献信息

• Synthesis and analgesic effects of kyotorphin—steroid linkers
  作者：Chao Wang、Ming Zhao、Jian Yang、Shiqi Peng

  DOI：10.1016/s0039-128x(01)00112-x

  日期：2001.11

  Kyotorphin (KTP, H-Tyr-Arg-OH) was covalently bonded with hydrocortisone or estrone to form the corresponding hydrocortisone-21-O-yl-succinyl-Tyr-ArgOH or estrone-3-O-yl-acyl-Tyr-Arg-OH. Their analgesic activities were investigated using the tail flick test. The potency of the two linkers were significantly higher than that of KTP and the mixture of KTP and hydrocortisone or estrone in the CNS and/or the periphery administration. (C) 2001 Elsevier Science Inc. All rights reserved.