estra-1,3,5(10)-triene-3,17β-diol 3-methoxymethyl ether | 32158-57-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: estra-1,3,5(10)-triene-3,17β-diol 3-methoxymethyl ether
• 英文别名: 3-O-methoxymethyl-estradiol；(8R,9S,13S,14S,17S)-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
• CAS: 32158-57-9
• 化学式: C₂₀H₂₈O₃
• 分子量: 316.441
• InChiKey: GMIOJXOFMPMPON-SLHNCBLASA-N

物化性质

• 沸点：
  461.1±45.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  estra-1,3,5(10)-triene-3,17β-diol 3-methoxymethyl ether 在 N-氯代丁二酰亚胺 、 仲丁基锂 、 sodium iodide 作用下， 以 溶剂黄146 为溶剂， 反应 6.75h， 生成 2-碘雌二醇
  参考文献：
  名称：

  Pert, Derek J.; Ridley, Damon D., Australian Journal of Chemistry, 1987, vol. 40, # 2, p. 303 - 309

  摘要：

  DOI：
• 作为产物：
  描述：

  雌二醇 、 氯甲基甲基醚 在 sodium hydride 作用下， 生成 estra-1,3,5(10)-triene-3,17β-diol 3-methoxymethyl ether 、 estra-1,3,5(10)-triene-3,17β-diol 7-methoxymethyl ether 、 (17beta)-3,17-二(甲氧基甲氧基)雌甾-1,3,5(10)-三烯
  参考文献：
  名称：

  Pert, Derek J.; Ridley, Damon D., Australian Journal of Chemistry, 1987, vol. 40, # 2, p. 303 - 309

  摘要：

  DOI：

文献信息

• Design, synthesis, and biological evaluation of novel estradiol–bisphosphonate conjugates as bone-specific estrogens
  作者：Masahiko Morioka、Akihito Kamizono、Hirosato Takikawa、Akihisa Mori、Hiroaki Ueno、Shu-ichiro Kadowaki、Yoshihide Nakao、Kuniki Kato、Kazuo Umezawa

  DOI：10.1016/j.bmc.2009.12.041

  日期：2010.2

  Bone deficiency causes osteoporosis and often decreases quality of life in patients with rheumatoid arthritis. Estrogens are known to protect elderly women from bone loss. Synthesis of new estradiol-bisphosphonate conjugates (E-2-BPs) was accomplished and their in vivo activity as bone-specific estrogens were examined. Among them, MCC-565 showed selective estrogenic activity in bones; but it showed little estrogenic activity in the uterus. We also found that the linker moiety in E2-BPs was essential for the absorption and specificity of the conjugates. (C) 2009 Elsevier Ltd. All rights reserved.
• NUCLEOTIDE SEQUENCES AND PROTEIN(S) ENCODED BY SUCH NUCLEOTIDES FOR MODULATION OF APOPTOSIS
  申请人：UNIVERSITA' DEGLI STUDI DI NAPOLI

  公开号：EP1349872A2

  公开（公告）日：2003-10-08
• [EN] NUCLEOTIDE SEQUENCES AND PROTEIN(S) ENCODED BY SUCH NUCLEOTIDES FOR MODULATION OF APOPTOSIS<br/>[FR] SEQUENCES NUCLEOTIDIQUES ET PROTEINE(S) CODEE(S) PAR LESDITS NUCLEOTIDES POUR LA MODULATION DE L'APOPTOSE
  申请人：UNIV NAPOLI FEDERICO II

  公开号：WO2002055553A2

  公开（公告）日：2002-07-18

  It is described a nucleotide sequence and a corresponding protein for which a role and utility in the regulation of programmed cell death or apoptosis are defined. Applications and uses of the sequence and corresponding protein concern all the physiologic and pathologic processes that involve cell death (neoplasias, degenerative diseases, tissue infarcts, autoimmune diseases, differentiation processes, etc.).