DPP-1111 | 863408-07-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: DPP-1111
• 英文别名: 1-[4-[3-[4-[(3,3-Dimethyl-2-oxobutyl)amino]-3-methylphenyl]pentan-3-yl]-2-methylanilino]-3,3-dimethylbutan-2-one
• CAS: 863408-07-5
• 化学式: C₃₁H₄₆N₂O₂
• 分子量: 478.718
• InChiKey: MJCJZNBWYQMGKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  DPP-1111 在 sodium tetrahydroborate 作用下， 以 仲丁醇 为溶剂， 反应 0.5h， 以98%的产率得到1-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butylamino)-3-methyl-phenyl]-propyl}-2-methyl-phenylamino)-3,3-dimethyl-butan-2-ol
  参考文献：
  名称：

  Ligands with dual vitamin D3-agonistic and androgen-antagonistic activities

  摘要：

  Ligands possessing dual vitamin D-3-agonistic (estimated as HL-60 monocytic cell differentiation induction) and androgen-antagonistic (estimated as testosterone-induced SC-3 cell growth inhibition) activities with various activity spectra were prepared based on a substituted bis-phenylmethane skeleton. Some of them were revealed to be potent androgen antagonists with a nonsecosteroidal vitamin D-3 skeleton. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.044
• 作为产物：
  描述：

  3,3-bis[4-hydroxy-3-methylphenyl]pentane 在 palladium dihydroxide palladium diacetate 、 氢气 、 caesium carbonate 、 三乙胺 、 potassium iodide 、 2-(二叔丁基膦)联苯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 56.0h， 生成 DPP-1111
  参考文献：
  名称：

  Ligands with dual vitamin D3-agonistic and androgen-antagonistic activities

  摘要：

  Ligands possessing dual vitamin D-3-agonistic (estimated as HL-60 monocytic cell differentiation induction) and androgen-antagonistic (estimated as testosterone-induced SC-3 cell growth inhibition) activities with various activity spectra were prepared based on a substituted bis-phenylmethane skeleton. Some of them were revealed to be potent androgen antagonists with a nonsecosteroidal vitamin D-3 skeleton. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.044

文献信息

• Ligands with dual vitamin D3-agonistic and androgen-antagonistic activities
  作者：Shinnosuke Hosoda、Aya Tanatani、Ken-ichi Wakabayashi、Yusuke Nakano、Hiroyuki Miyachi、Kazuo Nagasawa、Yuichi Hashimoto

  DOI：10.1016/j.bmcl.2005.06.044

  日期：2005.10

  Ligands possessing dual vitamin D-3-agonistic (estimated as HL-60 monocytic cell differentiation induction) and androgen-antagonistic (estimated as testosterone-induced SC-3 cell growth inhibition) activities with various activity spectra were prepared based on a substituted bis-phenylmethane skeleton. Some of them were revealed to be potent androgen antagonists with a nonsecosteroidal vitamin D-3 skeleton. (c) 2005 Elsevier Ltd. All rights reserved.