estrone-3-O-CH2CO-Tyr(2,6-dichlorobenzyl)-Gly-Gly-Phe-Leu-NH2 | 501083-17-6

• 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-CH2CO-Tyr(2,6-dichlorobenzyl)-Gly-Gly-Phe-Leu-NH2
• 英文别名: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-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]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
• CAS: 501083-17-6
• 化学式: C₅₅H₆₄Cl₂N₆O₉
• 分子量: 1024.05
• InChiKey: IKKREDZQIRYRGK-OBBPIMLWSA-N

物化性质

• 熔点：
  136-139 °C
• 沸点：
  1276.6±65.0 °C(Predicted)
• 密度：
  1.279±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  72
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  224
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  estrone-3-O-CH2CO-Tyr(2,6-dichlorobenzyl)-Gly-Gly-Phe-Leu-NH2 在 palladium on activated charcoal 甲酸 、 氢气 作用下， 以 甲醇 为溶剂， 以90%的产率得到(2S)-2-[[(2S)-2-[[2-[[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]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
  参考文献：
  名称：

  Studies on the synthesis and anti-Osteoporosis of estrogen-GHRPs linkers

  摘要：

  The linkers of estrogen-GHRPs were prepared by the combination of estradiol, estrone, TyrGlyGlyPheLeuOH, and TyrGlyGlyPheLeuOH. Their anti-osteoporosis effect was evaluated by analyzing the data, for instance the weight of the body, femur, femur ash, the content of calcium and phosphor in the femur, the content of calcium and ALP activity in the serum, obtained from the corresponding bioassay in vivo. The results indicated that the anti-osteoporosis potency for estradiol, estrone, TyrGlyGlyPheLeuOH and TyrGlyGlyPheLeuNH(2) may be totally enhanced each other via the corresponding linkers. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00847-8
• 作为产物：
  描述：

  Boc-Gly-Phe-OMe 在 N-甲基吗啉 、 盐酸 、 sodium hydroxide 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 为溶剂， 生成 estrone-3-O-CH2CO-Tyr(2,6-dichlorobenzyl)-Gly-Gly-Phe-Leu-NH2
  参考文献：
  名称：

  Studies on the synthesis and anti-Osteoporosis of estrogen-GHRPs linkers

  摘要：

  The linkers of estrogen-GHRPs were prepared by the combination of estradiol, estrone, TyrGlyGlyPheLeuOH, and TyrGlyGlyPheLeuOH. Their anti-osteoporosis effect was evaluated by analyzing the data, for instance the weight of the body, femur, femur ash, the content of calcium and phosphor in the femur, the content of calcium and ALP activity in the serum, obtained from the corresponding bioassay in vivo. The results indicated that the anti-osteoporosis potency for estradiol, estrone, TyrGlyGlyPheLeuOH and TyrGlyGlyPheLeuNH(2) may be totally enhanced each other via the corresponding linkers. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00847-8

文献信息

• Studies on the Synthesis of Estrogen-GHRPS Linkers
  作者：Chao Wang、Ming Zhao、Weina Cui、Jian Yang、Shiqi Peng

  DOI：10.1081/scc-120018924

  日期：2003.1.6

  A series of linkers consisted of estrone, estradiol, and GHRPS (growth hormone releasing peptides) were prepared with carboxylmethyl or succinyl as the conjugated group. As a protective group in the side chain of Tyr, the Deb (2,6-dichlorobenzyl) in the intermediates which is unstable to HF can be removed in high yield in the presence of Pd/C (10%), H-2, and 4.4% formic acid in methanol.
• Studies on the synthesis and anti-Osteoporosis of estrogen-GHRPs linkers
  作者：Chao Wang、Weina Cui、Ming Zhao、Jian Yang、Shiqi Peng

  DOI：10.1016/s0960-894x(02)00847-8

  日期：2003.1

  The linkers of estrogen-GHRPs were prepared by the combination of estradiol, estrone, TyrGlyGlyPheLeuOH, and TyrGlyGlyPheLeuOH. Their anti-osteoporosis effect was evaluated by analyzing the data, for instance the weight of the body, femur, femur ash, the content of calcium and phosphor in the femur, the content of calcium and ALP activity in the serum, obtained from the corresponding bioassay in vivo. The results indicated that the anti-osteoporosis potency for estradiol, estrone, TyrGlyGlyPheLeuOH and TyrGlyGlyPheLeuNH(2) may be totally enhanced each other via the corresponding linkers. (C) 2002 Elsevier Science Ltd. All rights reserved.