(6-{3-[(bis-(4-methoxy-phenyl)-phenyl-methoxy)methyl]-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 | 786681-47-8

• 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-methoxy)methyl]-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-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；(6-[3-[bis-(4-methoxyphenyl)phenylmethoxymethyl]4-hydroxy-pyrrolidin-1-yl]-6-oxohexyl)-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；(6-{3-[bis-(4-methoxyphenyl)phenylmethoxy]methyl-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)carbamic acid 17-(1,5-dimethylhexyl)-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；(6-{3-[bis(4-methoxyphenyl)phenylmethoxymethyl]-4-hydroxypyrrolidin-1-yl}-6-oxohexyl)carbamic acid 17-(1,5-dimethylhexyl)-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；(6-{3-[bis-(4-methoxy-phenyl)phenylmethoxymethyl]4-hydroxypyrrolidin-1-yl}6-oxo-hexyl)carbamic acid 17-(1,5-dimethylhexyl)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；6-{3-[bis-(4-methoxyphenylphenylmethoxymethyl)-4-hydroxypyrrolidin-1-yl]-6-oxo-hexyl}carbamic acid 17-(1,5-dimethylhexyl)-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
• CAS: 786681-47-8
• 化学式: C₆₀H₈₄N₂O₇
• 分子量: 945.336
• InChiKey: LISPLLOJPJBYRE-LUXYESEISA-N

物化性质

• 沸点：
  947.3±65.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.53
• 重原子数：
  69.0
• 可旋转键数：
  20.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  106.56
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 (6-{3-[(bis-(4-methoxy-phenyl)-phenyl-methoxy)methyl]-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 1,2-二氯乙烷 为溶剂， 反应 16.0h， 生成 succinic acid mono-(4-[(bis-(4-methoxy-phenyl)-phenyl-methoxy)methyl]-1-{6-[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-yloxycarbonylamino]-hexanoyl}-pyrrolidin-3-yl) ester
  参考文献：
  名称：

  Lipid Formulated Compositions and Methods for Inhibiting Expression of a Gene from the Ebola Virus

  摘要：

  该发明涉及脂质配方的双链核糖核酸(dsRNA)，用于抑制埃博拉病毒基因的表达。

  公开号：

  US20150353934A1
• 作为产物：
  描述：

  3-({6-[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-yloxycarbonylamino]-hexanoyl}ethoxycarbonylmethyl-amino)-propionic acid ethyl ester 在 吡啶 、 sodium tetrahydroborate 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 2.83h， 生成 (6-{3-[(bis-(4-methoxy-phenyl)-phenyl-methoxy)methyl]-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：

  GNAQ targeted dsRNA compositions and methods for inhibiting expression

  摘要：

  这项发明涉及一种针对异源三聚体G基因的G-alpha q亚基（GNAQ）的双链核糖核酸（dsRNA），以及使用该dsRNA抑制GNAQ表达的方法。

  公开号：

  US09566295B2

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)。
• Lipid formulated compositions and methods for inhibiting expression of transthyretin (TTR)
  申请人：Sah Dinah Wen-Yee

  公开号：US09101643B2

  公开（公告）日：2015-08-11

  The invention relates to lipid formulated double-stranded ribonucleic acid (dsRNA) targeting a transthyretin (TTR) gene, and methods of using the dsRNA to inhibit expression of TTR.

  这项发明涉及脂质配方的靶向前甲状腺素转运蛋白（TTR）基因的双链核糖核酸（dsRNA），以及使用dsRNA抑制TTR表达的方法。
• Compositions and methods for inhibiting expression of mutant EGFR gene
  申请人：Sah Dinah

  公开号：US09212364B2

  公开（公告）日：2015-12-15

  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.

  该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。
• COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF FACTOR VII GENE
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20160017336A1

  公开（公告）日：2016-01-21

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

  这项发明涉及一种用于抑制凝血因子VII基因表达的双链核糖核酸(dsRNA)。