4-(2-carboxyethylthio)-11-deoxycorticosterone | 81983-32-6

• 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: 4-(2-carboxyethylthio)-11-deoxycorticosterone
• CAS: 81983-32-6
• 化学式: C₂₄H₃₄O₅S
• 分子量: 434.597
• InChiKey: IARRVKLGYPKRRR-LVHVRBPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  91.67
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-(2-carboxyethylthio)-11-deoxycorticosterone 在 氯磺酸 作用下， 以 吡啶 为溶剂， 生成 4-(2-carboxyethylthio)-11-deoxycorticosterone 21-sulfate
  参考文献：
  名称：

  A radioimmunoassay for deoxycorticosterone sulfate without hydrolysis

  摘要：

  The hapten of deoxycorticosterone sulfate was synthesized and linked to the carrier protein through the C-4 position on the steroid nucleus. The antisera raised against this antigen in guinea pigs exhibited high affinity (Ka = 1.86 x 10(9) M-1) and excellent specificity for deoxycorticosterone sulfate. It was found that deoxycorticosterone sulfate can be determined in the range of 50-5000 pg, and this radioimmunoassay in plasma shows a coefficient of variation (CV) less than 10%.

  DOI：

  10.1016/0039-128x(87)90092-4
• 作为产物：
  描述：

  在 溶剂黄146 作用下， 反应 5.0h， 生成 4-(2-carboxyethylthio)-11-deoxycorticosterone
  参考文献：
  名称：

  A radioimmunoassay for deoxycorticosterone sulfate without hydrolysis

  摘要：

  The hapten of deoxycorticosterone sulfate was synthesized and linked to the carrier protein through the C-4 position on the steroid nucleus. The antisera raised against this antigen in guinea pigs exhibited high affinity (Ka = 1.86 x 10(9) M-1) and excellent specificity for deoxycorticosterone sulfate. It was found that deoxycorticosterone sulfate can be determined in the range of 50-5000 pg, and this radioimmunoassay in plasma shows a coefficient of variation (CV) less than 10%.

  DOI：

  10.1016/0039-128x(87)90092-4

文献信息

• Synthesis of haptens for use in immunoassays of .DELTA.4-3-ketosteroids.
  作者：HIROSHI HOSODA、KEIKO USHIODA、HIROAKI SHIOYA、TOSHIO NAMBARA

  DOI：10.1248/cpb.30.202

  日期：——

  In order to develop specific and sensitive immunoassays, new carboxylated derivatives of androstenedione, 11β-hydroxyandrostenedione, adrenosterone, progesterone, 17α-hydroxyprogesterone, corticosterone, 11-deoxycorticosterone and 21-deoxycortisol were synthesized. The preparation of the 4-carboxymethylthio and 4-carboxyethylthio derivatives of the Δ4-3-ketosteroids was carried out by base-catalyzed ring opening of the 4, 5-epoxides with mercaptoacetic acid and mercaptopropionic acid, respectively. The N-succinimidyl esters of these carboxylated steroids were also prepared.

  为了开发特异性和灵敏度高的免疫检测，合成了类雄性激素、11β-羟基类雄性激素、肾上腺素、孕酮、17α-羟基孕酮、皮质酮、11-脱氧皮质酮和21-脱氧皮质醇的新型羧基衍生物。Δ4-3-酮类固醇的4-羧甲基硫和4-羧乙基硫衍生物的制备是通过在碱催化下，分别用巯基醋酸和巯基丙酸对4, 5-环氧化物进行开环反应来实现的。同时，也制备了这些羧基类固醇的N-琥珀酰亚胺酯。