syn-11-deoxycortisol-3-carboxymethyloxime | 110013-88-2

• 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: syn-11-deoxycortisol-3-carboxymethyloxime
• CAS: 110013-88-2
• 化学式: C₂₃H₃₃NO₆
• 分子量: 419.518
• InChiKey: NCDJLWDNJONTAS-TWLKKHPQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  116.42
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 syn-11-deoxycortisol-3-carboxymethyloxime 在 polymer supported ethyl dimethylaminopropylcarbodiimide 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 以85%的产率得到[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-(3E)-ylideneaminooxy]-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester
  参考文献：
  名称：

  通过固体支持的EDAC轻松制备半抗原活性酯

  摘要：

  生物缀合物优选地通过使感兴趣的半抗原的活性酯与蛋白质反应来制备。用固体负载的EDAC和N-羟基琥珀酰亚胺或五氟苯酚制备活性酯可提供具有优异收率和纯度的活性酯

  DOI：

  10.1016/0040-4039(95)01761-6
• 作为产物：
  描述：

  脱氧可的松 、 羧甲基羟胺半盐酸盐 在 四氢吡咯 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 anti-11-deoxycortisol-3-carboxymethyloxime 、 syn-11-deoxycortisol-3-carboxymethyloxime
  参考文献：
  名称：

  A direct radioimmunoassay for 11-deoxycortisol

  摘要：

  A rapid, sensitive and highly specific radioimmunoassay (RIA) for 11-deoxycortisol has been developed and used for the measurement of serum concentrations. Antisera were raised using 11-deoxycortisol -3-carboxymethyloxime-bovine serum albumin as immunogen and showed minimal cross reaction with related steroids. 11-Deoxycortisol-3-carboxymethyloxime was coupled to 125 I-iodohistamine to produce a labelled antigen of high specific activity (s.a. 680 Ci/mmol). The assay was performed for 1h at room temperature and pH 4. Results were correlated with those after extraction, high pressure liquid chromatography and RIA of serum samples (y= 0.78x + 36.9; r = 0.97, p less than 0.001). The accuracy of the method was satisfactory (y = 1.00x - 0.61; r= 0.95; p less than 0.001). Assay sensitivity was 0.3 nmol/l. 11-Deoxycortisol concentrations in normal subjects at 09.OOh were 26-46 nmol/l (37.2 +/- 5.7; x- +/- 1 S.D.). The assay should facilitate the investigation of patients with possible abnormalities of adrenocortical function.

  DOI：

  10.1016/0039-128x(82)90080-0