(17α,20E)-21-<¹²⁵I>iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol | 82123-96-4

• 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: (17α,20E)-21-<¹²⁵I>iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol
• 英文别名: (8R,9S,13S,14S,17R)-17-[(E)-2-(125I)iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 82123-96-4
• 化学式: C₂₀H₂₅IO₂
• 分子量: 422.417
• InChiKey: DQQMDOLPKAVVIE-BBXTWCFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (17α,20E)-21-(tributylstannyl)-19-norpregna-1,3,5(10),20-tetraene-3,17-diol 生成 (17α,20E)-21-<¹²⁵I>iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol
  参考文献：
  名称：

  ALI, H.;ROUSSEAU, J.;CHAFFARI, M. A.;VAN, LIER J. E., J. MED. CHEM., 31,(1988) N 10, C. 1946-1950

  摘要：

  DOI：

文献信息

• Synthesis and evaluation of (17.alpha.,20E)-21-[125I]iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-diol and (17.alpha.,20E)-21-[125I]iodo-11.beta.-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol [17.alpha.-iodovinyl)estradiol derivatives] as high specific activity potential radiopharmaceuticals
  作者：Iwao Nakatsuka、Nelson L. Ferreira、W. C. Eckelman、B. E. Francis、W. J. Rzeszotarski、R. E. Gibson、E. M. Jagoda、R. C. Reba

  DOI：10.1021/jm00376a010

  日期：1984.10

  Two 17 alpha-[125I]iodovinyl estradiol derivatives 4b,d possessing high specific activity have been prepared and tested as potential radiopharmaceuticals. The use of the 3-acetyl derivatives 2c,e and the replacement of iodine monochloride with sodium iodide and Chloramine-T in THF/phosphate buffer (pH 7.0) permitted us to synthesize no-carrier-added (17 alpha,20E)-21-[125I]iodo-19-norpregna-1,3,5(10),20-tetraene-3,17-d iol (4b) and (17 alpha,20E)-21-[125I]iodo-11 beta-methoxy-19-norpregna-1,3,5(10),20-tetraene-3,17-diol (4d) with 50% radiochemical yield and high purity. Although the specific activity represents only half of the theoretical value in some cases, this modified approach is a substantial improvement over the previously published method. Our preliminary distribution studies indicate that although both 4b and 4d localize in the tissues known to have a large concentration of estrogen receptors, 4d accumulates in higher amounts in target tissues and provides a high target to nontarget ratio.
• ALI, H.;ROUSSEAU, J.;CHAFFARI, M. A.;VAN, LIER J. E., J. MED. CHEM., 31,(1988) N 10, C. 1946-1950
  作者：ALI, H.、ROUSSEAU, J.、CHAFFARI, M. A.、VAN, LIER J. E.

  DOI：——

  日期：——