cortisol 3-(O-carboxymethyl)oxime | 109527-48-2

• 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: cortisol 3-(O-carboxymethyl)oxime
• 英文别名: Hydrocortisone 3-(O-Carboxymethyl)oxime (E/Z Mixture)；2-[(Z)-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
• CAS: 109527-48-2
• 化学式: C₂₃H₃₃NO₇
• 分子量: 435.518
• InChiKey: WXAWNCDYPXVODT-RTHQPIBESA-N

物化性质

• 沸点：
  650.3±65.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  8

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
  氢化可的松	HYDROCORTISONE	50-23-7	C21H30O5	362.466

反应信息

• 作为产物：
  描述：

  氢化可的松 以 甲醇 为溶剂， 反应 1.75h， 生成 cortisol 3-(O-carboxymethyl)oxime
  参考文献：
  名称：

  Preparation of europium-labeled derivatives of cortisol for time-resolved fluoroimmunoassays

  摘要：

  Cortisol 3-(O-carboxymethyl)oxime, 6- and 21-hemisuccinoxycortisol, and cortisol 7-carboxyethyl thioether were synthesized. These carboxyl derivatives were labeled using a described general labeling method with an europium chelate. The labeled steroids were tested in a competitive time-resolved fluoroimmunoassay using antibodies raised against cortisol. Only the site-homologous antigen-antibody pairs underwent immunoreaction and gave satisfactory calibration curves.

  DOI：

  10.1016/0039-128x(91)90109-9

文献信息

• Preparation of europium-labeled derivatives of cortisol for time-resolved fluoroimmunoassays
  作者：Heikki Mikola、Päivi Miettinen

  DOI：10.1016/0039-128x(91)90109-9

  日期：1991.1

  Cortisol 3-(O-carboxymethyl)oxime, 6- and 21-hemisuccinoxycortisol, and cortisol 7-carboxyethyl thioether were synthesized. These carboxyl derivatives were labeled using a described general labeling method with an europium chelate. The labeled steroids were tested in a competitive time-resolved fluoroimmunoassay using antibodies raised against cortisol. Only the site-homologous antigen-antibody pairs underwent immunoreaction and gave satisfactory calibration curves.