摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

| 1880-46-2

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
1880-46-2
化学式
C23H29F7O3
mdl
——
分子量
486.47
InChiKey
KDDZDQBAWGEPFE-MJSGPKJZSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    434.2±45.0 °C(Predicted)
  • 密度:
    1.31±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    6.34
  • 重原子数:
    33.0
  • 可旋转键数:
    3.0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.91
  • 拓扑面积:
    43.37
  • 氢给体数:
    0.0
  • 氢受体数:
    3.0

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    还原胆烷醇酮七氟丁酸酐乙酸乙酯 为溶剂, 反应 2.0h, 生成
    参考文献:
    名称:
    Simultaneous quantification of GABAergic 3α,5α/3α,5β neuroactive steroids in human and rat serum
    摘要:
    The 3 alpha,5 alpha- and 3 alpha,5 beta-reduced derivatives of progesterone, deoxycorticosterone, dehydroepiandrosterone and testosterone enhance GABAergic neurotransmission and produce inhibitory neurobehavioral and anti-inflammatory effects. Despite Substantial information oil the progesterone derivative (3 alpha,5 alpha)-3-hydroxypregnan-20-one (3 alpha,5 alpha-THP, allopregnanolone), the physiological significance of the other endogenous GABAergic neuroactive steroids has remained elusive. Here, we describe the validation of a method using gas chromatography-mass spectrometry to simultaneously identify serum levels of the eight 3 alpha,5 alpha- and 3 alpha,5 beta-reduced derivatives of progesterone, deoxycorticosterone, dehydroepiandrosterone and testosterone. The method shows specificity. sensitivity and enhanced throughput compared to other methods already available for neuroactive steroid quantification. Administration of pregnenolone to rats and progesterone to women produced selective effects on the 3 alpha,5 alpha- and 3 alpha,5 beta-reduced neuroactive steroids, indicating differential regulation of their biosynthetic pathways. Pregnenolone administration increased serum levels of 3 alpha,5 alpha-THP (+1488%, p<0.001), (3 alpha,5 alpha)-3,21-dihydroxypregnan-20-one (3 alpha,5 alpha-THDOC, +205%, p<0.01), (3 alpha,5 alpha)-3-hydroxyandrostan-17-one (3 alpha,5 alpha-A, +216%, p<0.001), (3 alpha,5 alpha,17 beta)-androstane-3,17-diol (3 alpha,5 alpha-A-diol, +190%, p<0.01). (3 alpha,5 beta)-3-hydroxypregnan-20-one (3 alpha,5 beta-THP) and (3 alpha,5 beta)-3-hydroxyandrostan-17-one (3 alpha,5 beta-A) were not altered, while (3 alpha,5 beta)-3,21-dihydroxypregnan-20-one (3 alpha,5 beta-THDOC) and (3 alpha,5 beta,17 beta)-androstane-3,17-diol (3 alpha,5 beta-A-diol) were increased from undetectable levels to 271 +/- 100 and 2.4 +/- 0.9 pg +/- SEM, respectively (5/8 rats). Progesterone administration increased serum levels of 3 alpha,5 beta-THP (+1806%, p<0.0001), 3 alpha,5 beta-THP (+575%, p<0.001), 3 alpha,5 beta-THDOC (+309%, p<0.001). 3 alpha,5 beta-THDOC levels were increased by 307%, although this increase was not significant because this steroid was detected only in 3/16 control Subjects. Levels of 3 alpha,5 alpha-A, 3 alpha,5 beta-A and pregnenolone were not altered. This method can be used to investigate the physiological and pathological role of neuroactive steroids and to develop bioinarkers and new therapeutics for neurological and psychiatric disorders. (C) 2009 Elsevier Inc. All rights reserved.
    DOI:
    10.1016/j.steroids.2008.12.015
点击查看最新优质反应信息

同类化合物

(5β)-17,20:20,21-双[亚甲基双(氧基)]孕烷-3-酮 (5α)-2′H-雄甾-2-烯并[3,2-c]吡唑-17-酮 (3β,20S)-4,4,20-三甲基-21-[[[三(异丙基)甲硅烷基]氧基]-孕烷-5-烯-3-醇-d6 (25S)-δ7-大发酸 (20R)-孕烯-4-烯-3,17,20-三醇 (11β,17β)-11-[4-({5-[(4,4,5,5,5-五氟戊基)磺酰基]戊基}氧基)苯基]雌二醇-1,3,5(10)-三烯-3,17-二醇 齐墩果酸衍生物1 黄麻属甙 黄芪皂苷III 黄芪皂苷 II 黄芪甲苷 IV 黄芪甲苷 黄肉楠碱 黄果茄甾醇 黄杨醇碱E 黄姜A 黄夹苷B 黄夹苷 黄夹次甙乙 黄夹次甙乙 黄夹次甙丙 黄体酮环20-(乙烯缩醛) 黄体酮杂质EPL 黄体酮杂质1 黄体酮杂质 黄体酮杂质 黄体酮EP杂质M 黄体酮EP杂质G(RRT≈2.53) 黄体酮EP杂质F 黄体酮6-半琥珀酸酯 黄体酮 17alpha-氢过氧化物 黄体酮 11-半琥珀酸酯 黄体酮 麦角甾醇葡萄糖苷 麦角甾醇氢琥珀酸盐 麦角甾烷-6-酮,2,3-环氧-22,23-二羟基-,(2b,3b,5a,22R,23R,24S)-(9CI) 麦角甾烷-3,6,8,15,16-五唑,28-[[2-O-(2,4-二-O-甲基-b-D-吡喃木糖基)-a-L-呋喃阿拉伯糖基]氧代]-,(3b,5a,6a,15b,16b,24x)-(9CI) 麦角甾烷-26-酸,5,6:24,25-二环氧-14,17,22-三羟基-1-羰基-,d-内酯,(5b,6b,14b,17a,22R,24S,25S)-(9CI) 麦角甾-8-烯-3-醇 麦角甾-8,24(28)-二烯-26-酸,7-羟基-4-甲基-3,11-二羰基-,(4a,5a,7b,25S)- 麦角甾-7,22-二烯-3-酮 麦角甾-7,22-二烯-17-醇-3-酮 麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- 麦角甾-5,22,25-三烯-3-醇 麦角甾-4,6,8(14),22-四烯-3-酮 麦角甾-1,4-二烯-3-酮,7,24-二(乙酰氧基)-17,22-环氧-16,25-二羟基-,(7a,16b,22R)-(9CI) 麦角固醇 麦冬皂苷D 麦冬皂苷D 麦冬皂苷 B