1-α-(4'-pentenyl)-4-androsten-17β-ol-3-one t-butyldimethylsilyl ether | 161889-53-8

• 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: 1-α-(4'-pentenyl)-4-androsten-17β-ol-3-one t-butyldimethylsilyl ether
• 英文别名: (1S,8R,9S,10R,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-1-pent-4-enyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 161889-53-8
• 化学式: C₃₀H₅₀O₂Si
• 分子量: 470.811
• InChiKey: OXLQNTVNLCEZAX-LRLKTANUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.49
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-α-(4'-pentenyl)-4-androsten-17β-ol-3-one t-butyldimethylsilyl ether 在 吡啶 、 sodium chlorite 、 phosphate buffer 、 2-甲基-2-丁烯 、 二甲基硫 、 oil scarlet 、 臭氧 作用下， 以 叔丁醇 为溶剂， 反应 1.17h， 生成 1-α-(3'-carboxypropyl)4-Androsten-17β-ol-3-one t-butyldimethylsilyl ether
  参考文献：
  名称：

  A stereoselective synthesis of 1α-(3′-Carboxypropyl)-4-androsten-17β-ol-3-one: Preparation of immunoreagents for quantification of testosterone by fluorescence polarization immunoassay

  摘要：

  1 alpha-(3'-Carboxypropyl)-4-androsten-17 beta-ol-3-one (2), a novel hapten, was prepared from boldenone (3) via addition of 4-pentenyl magnesium bromide in the presence of CuBr, as a key step in >95% epimeric excess and 13.8% overall yield Two immunogens (7,8) and three fluorescent tracers (11,18,19) were prepared from acid (2) for the development of an immunoassay for testosterone (1). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00815-6
• 作为产物：
  描述：

  宝丹酮 在 咪唑 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.75h， 生成 1-α-(4'-pentenyl)-4-androsten-17β-ol-3-one t-butyldimethylsilyl ether
  参考文献：
  名称：

  A stereoselective synthesis of 1α-(3′-Carboxypropyl)-4-androsten-17β-ol-3-one: Preparation of immunoreagents for quantification of testosterone by fluorescence polarization immunoassay

  摘要：

  1 alpha-(3'-Carboxypropyl)-4-androsten-17 beta-ol-3-one (2), a novel hapten, was prepared from boldenone (3) via addition of 4-pentenyl magnesium bromide in the presence of CuBr, as a key step in >95% epimeric excess and 13.8% overall yield Two immunogens (7,8) and three fluorescent tracers (11,18,19) were prepared from acid (2) for the development of an immunoassay for testosterone (1). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00815-6

文献信息

• Reagents and methods for the detection and quantification of
  申请人：Abbott Laboratories

  公开号：US05559210A1

  公开（公告）日：1996-09-24

  A Position 1 immunogen having the following formula: ##STR1## wherein: (a) P represents an immunogenic carrier material (b) X represents a linking moiety wherein --X--P is attached to a testosterone derivative (c) n is from 1 to 10, inclusive (d) the degree of substitution of P by the testosterone derivative is from 1 to 100%, inclusive.

  一个具有以下公式的位置1免疫原：##STR1##其中：(a) P代表免疫原载体材料(b) X代表连接基团，其中--X--P连接到睾酮衍生物(c) n为1至10，包括在内(d) P被睾酮衍生物取代的程度为1至100％，包括在内。
• A stereoselective synthesis of 1α-(3′-Carboxypropyl)-4-androsten-17β-ol-3-one: Preparation of immunoreagents for quantification of testosterone by fluorescence polarization immunoassay
  作者：Maciej Adamczyk、Yon-Yih Chen、Donald D. Johnson、Rajarathnam E. Reddy

  DOI：10.1016/s0040-4020(97)00815-6

  日期：1997.9

  1 alpha-(3'-Carboxypropyl)-4-androsten-17 beta-ol-3-one (2), a novel hapten, was prepared from boldenone (3) via addition of 4-pentenyl magnesium bromide in the presence of CuBr, as a key step in >95% epimeric excess and 13.8% overall yield Two immunogens (7,8) and three fluorescent tracers (11,18,19) were prepared from acid (2) for the development of an immunoassay for testosterone (1). (C) 1997 Elsevier Science Ltd.