1-[4-(1-{4-[2,3-Bis-(tert-butyl-dimethyl-silanyloxy)-propoxy]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenoxy]-3,3-dimethyl-butan-2-ol | 512198-02-6

• 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: 1-[4-(1-{4-[2,3-Bis-(tert-butyl-dimethyl-silanyloxy)-propoxy]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenoxy]-3,3-dimethyl-butan-2-ol
• 英文别名: 1-[4-[3-[4-[2,3-Bis[[tert-butyl(dimethyl)silyl]oxy]propoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-ol；1-[4-[3-[4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-ol
• CAS: 512198-02-6
• 化学式: C₄₀H₇₀O₅Si₂
• 分子量: 687.164
• InChiKey: SOPDKMPTNAACTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.99
• 重原子数：
  47
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[4-(1-{4-[2,3-Bis-(tert-butyl-dimethyl-silanyloxy)-propoxy]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenoxy]-3,3-dimethyl-butan-2-ol 在 4-二甲氨基吡啶 、 氢氟酸 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Affinity labeling of the nuclear vitamin D receptor with nonsteroidal alkylating agents

  摘要：

  Synthesis of an affinity alkylating non steroidal mimic of 1alpha,25-dihydroxyvitamin D-3 and its radiolabeled counterpart is presented. We also report the affinity labeling of the VDR-ligand binding domain (VDR-LBD) with this analogue. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00878-8
• 作为产物：
  描述：

  3,3-bis[4-hydroxy-3-methylphenyl]pentane 在 咪唑 、 sodium tetrahydroborate 、 sodium hydride 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 1-[4-(1-{4-[2,3-Bis-(tert-butyl-dimethyl-silanyloxy)-propoxy]-3-methyl-phenyl}-1-ethyl-propyl)-2-methyl-phenoxy]-3,3-dimethyl-butan-2-ol
  参考文献：
  名称：

  Affinity labeling of the nuclear vitamin D receptor with nonsteroidal alkylating agents

  摘要：

  Synthesis of an affinity alkylating non steroidal mimic of 1alpha,25-dihydroxyvitamin D-3 and its radiolabeled counterpart is presented. We also report the affinity labeling of the VDR-ligand binding domain (VDR-LBD) with this analogue. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00878-8

文献信息

• Affinity labeling of the nuclear vitamin D receptor with nonsteroidal alkylating agents
  作者：Ana Fernández-Gacio、Carlos Fernández-Marcos、Narasimha Swamy、Rahul Ray

  DOI：10.1016/s0960-894x(02)00878-8

  日期：2003.1

  Synthesis of an affinity alkylating non steroidal mimic of 1alpha,25-dihydroxyvitamin D-3 and its radiolabeled counterpart is presented. We also report the affinity labeling of the VDR-ligand binding domain (VDR-LBD) with this analogue. (C) 2002 Elsevier Science Ltd. All rights reserved.