<1R,<1α(R^*),3aβ,4β,7aα>>-4-(aminomethyl)octahydro-7a-methyl-1-(1,5-dimethyl-5-hydroxyhexyl)-1H-inden-4-ol | 145459-09-2

• 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: <1R,<1α(R^*),3aβ,4β,7aα>>-4-(aminomethyl)octahydro-7a-methyl-1-(1,5-dimethyl-5-hydroxyhexyl)-1H-inden-4-ol
• 英文别名: [1R,(1α(R^*),3aβ,4β,7aα)]-4-(aminomethyl)octahydro-7a-methyl-1-(1,5-dimethyl-5-hydroxyhexyl)-1H-inden-4-ol
• CAS: 145459-09-2
• 化学式: C₁₉H₃₇NO₂
• 分子量: 311.508
• InChiKey: YYZSBNCNKQUOGX-RTYCURFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.48
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  <1R,<1α(R^*),3aβ,4β,7aα>>-4-(aminomethyl)octahydro-7a-methyl-1-(1,5-dimethyl-5-hydroxyhexyl)-1H-inden-4-ol 在 溶剂黄146 、 sodium nitrite 作用下， 反应 4.0h， 以27%的产率得到<1R,<1α(R^*),3aβ,8aα>>-octahydro-1-(1,5-dimethyl-5-hydroxyhexyl)-8a-methyl-5(1H)-azulenone
  参考文献：
  名称：

  Synthesis and biological activities of 8(14)a-homocalcitriol

  摘要：

  8(14)a-Homocalcitriol was synthesized and tested for its biologic activities. It exhibited a vitamin D agonist activity profile. The compound was bound to the pig intestinal receptor with an affinity slightly less than calcitriol, showed the same potency in inducing HL 60 cell differentiation and inhibition of keratinocyte proliferation as calcitriol, and was found to be approximately 10-fold less potent in inducing hypercalcemia and hypercalciuria after a single injection in normal rats.

  DOI：

  10.1016/0039-128x(92)90099-u
• 作为产物：
  描述：

  <1R,<1α(R^*),3aβ,4β,7aα>>-6-(octahydro-7a-methylspiro<4H-indene-4,2'-oxiran>-1-yl)-2-methyl-2-heptanol 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 100.0 ℃ 、3.0 MPa 条件下， 反应 7.0h， 以90%的产率得到<1R,<1α(R^*),3aβ,4β,7aα>>-4-(aminomethyl)octahydro-7a-methyl-1-(1,5-dimethyl-5-hydroxyhexyl)-1H-inden-4-ol
  参考文献：
  名称：

  Synthesis and biological activities of 8(14)a-homocalcitriol

  摘要：

  8(14)a-Homocalcitriol was synthesized and tested for its biologic activities. It exhibited a vitamin D agonist activity profile. The compound was bound to the pig intestinal receptor with an affinity slightly less than calcitriol, showed the same potency in inducing HL 60 cell differentiation and inhibition of keratinocyte proliferation as calcitriol, and was found to be approximately 10-fold less potent in inducing hypercalcemia and hypercalciuria after a single injection in normal rats.

  DOI：

  10.1016/0039-128x(92)90099-u