(6-{3-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

• 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: (6-{3-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
• 英文别名: (6-{3-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxy-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester；[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[6-[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate
• 化学式: C₆₀H₈₄N₂O₇
• 分子量: 945.336
• InChiKey: LISPLLOJPJBYRE-VWRUCJMGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  69
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 (6-{3-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 1,1-二氯乙烷 为溶剂， 反应 16.0h， 生成 Succinic acid mono-(4-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-1-{6-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H cyclopenta[a]phenanthren-3-yloxycarbonylamino]-hexanoyl}-pyrrolidin-3-yl) ester 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
  参考文献：
  名称：

  Compositions and methods for inhibiting expression of the PCSK9 gene

  摘要：

  该发明涉及一种双链核糖核酸(dsRNA)，用于抑制前蛋白酶转化亚硫酸酯基肽酶9 (PCSK9) 基因的表达，包括具有核苷酸序列的反义链，其长度小于30个核苷酸，通常为19-25个核苷酸，并且与PCSK9基因的至少一部分基本互补。该发明还涉及包括dsRNA和药学上可接受的载体的药物组合物；以及使用该药物组合物治疗由PCSK9基因表达引起的疾病的方法。

  公开号：

  US07605251B2
• 作为产物：
  描述：

  [6-(3-hydroxy-4-hydroxymethyl-pyrrolidin-1-yl)-6-oxo-hexyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 、 4,4'-双甲氧基三苯甲基氯 以 吡啶 为溶剂， 以95%的产率得到(6-{3-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
  参考文献：
  名称：

  Compositions and methods for inhibiting expression of huntingtin gene

  摘要：

  该发明涉及一种双链核糖核酸(dsRNA)，用于抑制Huntingtin基因(HD基因)的表达，包括具有核苷酸序列的反义链，其长度小于25个核苷酸，并且与HD基因的至少一部分基本互补。该发明还涉及包括dsRNA和药用载体的药物组合物；使用该药物组合物治疗由HD基因的表达或其突变形式引起的疾病的方法；以及在细胞中抑制huntingtin基因表达的方法。

  公开号：

  US20070099860A1

文献信息

• Compositions and methods for inhibiting expression of Nav1.8 gene
  申请人：Sah Dinah

  公开号：US20070105806A1

  公开（公告）日：2007-05-10

  The invention relates to a double-stranded ribonucleic acid (dsRNA) for inhibiting the expression of the Nav1.8 gene (Nav1.8 gene), comprising an antisense strand having a nucleotide sequence which is less that 25 nucleotides in length and which is substantially complementary to at least a part of the Nav1.8 gene. The invention also relates to a pharmaceutical composition comprising the dsRNA together with a pharmaceutically acceptable carrier; methods for treating diseases caused by the expression of the Nav1.8 gene using the pharmaceutical composition; and methods for inhibiting the expression of the Nav1.8 gene gene in a cell.

  该发明涉及一种双链核糖核酸(dsRNA)，用于抑制Nav1.8基因(Nav1.8基因)的表达，包括具有核苷酸序列的反义链，其长度小于25个核苷酸，并且与Nav1.8基因的至少一部分基本互补。该发明还涉及包括dsRNA和药用可接受载体的药物组合物；使用该药物组合物治疗由Nav1.8基因表达引起的疾病的方法；以及在细胞中抑制Nav1.8基因表达的方法。
• COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF A GENE FROM THE EBOLA
  申请人：Bavari Sina

  公开号：US20090143323A1

  公开（公告）日：2009-06-04

  The invention relates to a double-stranded ribonucleic acid (dsRNA) for inhibiting the expression of a gene from the Ebola virus.

  这项发明涉及一种用于抑制埃博拉病毒基因表达的双链核糖核酸(dsRNA)。
• Compositions and methods for inhibiting expression of huntingtin gene
  申请人：Sah Wen-Yee Dinah

  公开号：US20070099860A1

  公开（公告）日：2007-05-03

  The invention relates to a double-stranded ribonucleic acid (dsRNA) for inhibiting the expression of the Huntingtin gene (HD gene), comprising an antisense strand having a nucleotide sequence which is less than 25 nucleotides in length and which is substantially complementary to at least a part of the HD gene. The invention also relates to a pharmaceutical composition comprising the dsRNA together with a pharmaceutically acceptable carrier; methods for treating diseases caused by the expression of the HD gene, or a mutant form thereof, using the pharmaceutical composition; and methods for inhibiting the expression of the huntingtin gene in a cell.

  该发明涉及一种双链核糖核酸(dsRNA)，用于抑制Huntingtin基因(HD基因)的表达，包括具有核苷酸序列的反义链，其长度小于25个核苷酸，并且与HD基因的至少一部分基本互补。该发明还涉及包括dsRNA和药用载体的药物组合物；使用该药物组合物治疗由HD基因的表达或其突变形式引起的疾病的方法；以及在细胞中抑制huntingtin基因表达的方法。
• Lipid Formulated Compositions and Methods for Inhibiting Expression of Serum Amyloid A Gene
  申请人：de Fougerolles Antonin

  公开号：US20110263684A1

  公开（公告）日：2011-10-27

  The invention relates to a double-stranded ribonucleic acid (dsRNA) targeting a Serum Amyloid A (SAA) gene, and methods of using the dsRNA to inhibit expression of SAA.

  这项发明涉及一种针对血清淀粉样蛋白A（SAA）基因的双链核糖核酸（dsRNA），以及使用该dsRNA抑制SAA表达的方法。
• COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF MUTANT EGFR GENE
  申请人：Sah Dinah

  公开号：US20120022132A1

  公开（公告）日：2012-01-26

  The invention relates to a double-stranded ribonucleic acid (dsRNA) targeting a mutant Epidermal Growth Factor Receptor (EGFR), and methods of using the dsRNA to inhibit expression of mutant EGFR.

  这项发明涉及一种针对突变表皮生长因子受体（EGFR）的双链核糖核酸（dsRNA），以及使用该dsRNA抑制突变EGFR表达的方法。