(24R)-3β-acetoxy-24-ethylcholest-4-en-6-one | 60203-18-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (24R)-3β-acetoxy-24-ethylcholest-4-en-6-one
• 英文别名: 6-oxostigmast-4-en-3β-yl acetate；3β-acetoxystigmast-4-en-6-one；3β-Acetoxy-cholesten-(4)-on-(6)
• CAS: 60203-18-1
• 化学式: C₃₁H₅₀O₃
• 分子量: 470.736
• InChiKey: UFASNYUKDAIZHN-ZICYZIHLSA-N

物化性质

• 沸点：
  546.6±39.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.77
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (24R)-3β-acetoxy-24-ethylcholest-4-en-6-one 在 对甲苯磺酸 过氧化氢苯甲酰 、 sodium methylate 作用下， 以 氯仿 为溶剂， 反应 132.0h， 生成 methyl 5-keto-5,6-secostigmast-3-en-6-oate
  参考文献：
  名称：

  Ahmad, M. S.; Moinuddin, Ghulam, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 9, p. 811 - 812

  摘要：

  DOI：
• 作为产物：
  描述：

  β-sitosterol 5,6-epoxide acetate 在 吡啶 、 chromium(VI) oxide 、 氯化亚砜 作用下， 以 丁酮 为溶剂， 生成 (24R)-3β-acetoxy-24-ethylcholest-4-en-6-one
  参考文献：
  名称：

  Synthesis of Cytotoxic 6E-Hydroximino-4-ene Steroids:  Structure/Activity Studies

  摘要：

  In an effort to determine the pharmaceutical utility and the structural requirements for activity against various tumor cell lines, several 6E-hydroximino-4-ene steroids with different side chains and degrees of unsaturation on ring A were synthesized in our laboratory. Evaluation of the synthesized compounds for cytotoxicity against P-388, A-549, HT-29, and MEL-28 tumor cells revealed that some important structural features are required for activity. The presence of a cholesterol-type side chain, which appears to play a major role in determining the biological activity, the existence of a ketone functionality at C-3, and an elevated degree of oxidation on ring A all result in higher bioactivity than other structural motifs.

  DOI：

  10.1021/jm010867n

文献信息

• Anastasia, Mario; Allevi, Pietro; Ciuffreda, Pierangela, Journal of the Chemical Society. Perkin transactions I, 1986, p. 2123 - 2126
  作者：Anastasia, Mario、Allevi, Pietro、Ciuffreda, Pierangela、Fiecchi, Alberto、Scala, Antonio

  DOI：——

  日期：——
• 232. Steroids and related compounds. Part IV. The stereochemical configuration of the cholestane-3 : 5 : 6-triols
  作者：B. Ellis、V. A. Petrow

  DOI：10.1039/jr9390001078

  日期：——
• Willingness to pay for publicly-financed health care: how should we use the numbers?
  作者：Phil Shackley、Cam Donaldson

  DOI：10.1080/00036840050155940

  日期：2000.12.1

  This paper addresses the question of how willingness to pay (WTP) values in health care evaluation can be used by policy makers. The way in which WTP values are used depends on from whom values are elicited and whether the good concerned is privately-financed or publicly-financed through taxation. Thus, four possible uses of WTP values are identified. The focus is on the two uses which arise in the publicly-financed situation. 'Conventional' use of WTP values, where the decision as to whether or not to provide a service depends upon whether or not WTP values are greater than total cost, applies only in the privately-financed, and not publicly-financed situations. The situations with publicly-financed goods are more complex. The use of WTP values for publicly-financed goods is justified and illustrated.
• 264. Studies in the sterol group. Part XXXVIII. The bromination of 6-keto-3-acetoxy-Δ⁴-cholestene
  作者：H. Jackson、E. R. H. Jones

  DOI：10.1039/jr9380001406

  日期：——
• Ahmad, M. S.; Alam, Zafar; Ali, S.M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 959
  作者：Ahmad, M. S.、Alam, Zafar、Ali, S.M.

  DOI：——

  日期：——