6-氨基雌二醇 | 104975-49-7

• 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
• 中文名称: 6-氨基雌二醇
• 英文名称: 6-amino-17β-estradiol acetate
• 英文别名: 6-Aminoestradiol；(8R,9S,13S,14S,17S)-6-amino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS: 104975-49-7
• 化学式: C₁₈H₂₅NO₂
• 分子量: 287.402
• InChiKey: NJQNPYWBIWHYJP-YDYZGFHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氨基雌二醇 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 3-[9-({(4-{[(6S,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-yl]amino}-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino}carbonyl)-10-acridiniumyl]-1-propanesulfonate
  参考文献：
  名称：

  Evaluation of chemiluminescent estradiol conjugates by using a surface plasmon resonance detector

  摘要：

  A series of chemiluminescent 17 beta-estradiol probes were synthesized. Relative equilibrium dissociation constants (K-D) for the interaction of an anti-E-2 Fab fragment for the probes in solution were evaluated using a single E-2-analog biosensor surface on a BIAcore surface plasmon resonance instrument. The results show the antibody fragment binds all chemiluminescent conjugates tested with high affinity showing only minor preferences for site of substitution (C6 versus C7), stereochemistry (alpha versus beta), or linker moiety. (C) 2000 Elsevier Science Inc. All rights reserved.

  DOI：

  10.1016/s0039-128x(00)00091-x

文献信息

• Evaluation of chemiluminescent estradiol conjugates by using a surface plasmon resonance detector
  作者：Maciej Adamczyk、Yon-Yih Chen、John C Gebler、Donald D Johnson、Phillip G Mattingly、Jeffrey A Moore、Rajarathnam E Reddy、Jiang Wu、Zhiguang Yu

  DOI：10.1016/s0039-128x(00)00091-x

  日期：2000.6

  A series of chemiluminescent 17 beta-estradiol probes were synthesized. Relative equilibrium dissociation constants (K-D) for the interaction of an anti-E-2 Fab fragment for the probes in solution were evaluated using a single E-2-analog biosensor surface on a BIAcore surface plasmon resonance instrument. The results show the antibody fragment binds all chemiluminescent conjugates tested with high affinity showing only minor preferences for site of substitution (C6 versus C7), stereochemistry (alpha versus beta), or linker moiety. (C) 2000 Elsevier Science Inc. All rights reserved.