3β-butynyloxycholest-4-en-6-one | 1022911-56-3

• 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: 3β-butynyloxycholest-4-en-6-one
• CAS: 1022911-56-3
• 化学式: C₃₁H₄₈O₂
• 分子量: 452.721
• InChiKey: SYWPWQAZPMIPIB-ROPQDKJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.62
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3β-butynyloxycholest-4-en-6-one 在 Lindlar's catalyst 、 Grubbs catalyst first generation 氢气 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 1,6-bis(4-cholesten-6-one-3β-oxy)-3Z-hexene
  参考文献：
  名称：

  6E-Hydroximinosteroid homodimerization by cross-metathesis processes

  摘要：

  A rapid and efficient synthesis of 6E-hydroximinosteroid homodimers is described. The two new compounds were linked at position 3 of the steroid nucleus via a ruthenium catalyzed cross -metathesis reaction. The cytotoxic activity of these compounds was evaluated in vitro on human lung carcinoma A549 (ATCC CCL-185), colon adenocarcinoma HCT-116 (ATCC CCL-247), human caucasian glioblastoma multiforme T98G (ECACC 92090213) and human pancreatic adenocarcinoma PSN1 (ECACC 94060601) tumour cells. Homodimer 10b presented selective activity against HCT-116, although they are not highly toxic when compared with the monomer counterparts. (c) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2007.03.014
• 作为产物：
  描述：

  胆固醇 在 chromium(VI) oxide 、 氯化亚砜 、 montmorillonite K-10 、 间氯过氧苯甲酸 作用下， 以 吡啶 、 氯仿 、 水 、 丁酮 为溶剂， 反应 190.75h， 生成 3β-butynyloxycholest-4-en-6-one
  参考文献：
  名称：

  6E-Hydroximinosteroid homodimerization by cross-metathesis processes

  摘要：

  A rapid and efficient synthesis of 6E-hydroximinosteroid homodimers is described. The two new compounds were linked at position 3 of the steroid nucleus via a ruthenium catalyzed cross -metathesis reaction. The cytotoxic activity of these compounds was evaluated in vitro on human lung carcinoma A549 (ATCC CCL-185), colon adenocarcinoma HCT-116 (ATCC CCL-247), human caucasian glioblastoma multiforme T98G (ECACC 92090213) and human pancreatic adenocarcinoma PSN1 (ECACC 94060601) tumour cells. Homodimer 10b presented selective activity against HCT-116, although they are not highly toxic when compared with the monomer counterparts. (c) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2007.03.014