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}-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester | 786681-45-6

• 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: 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}-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester
• 英文别名: 1-{6-[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-yloxycarbonylamino]hexanoyl}-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester；1-{6-[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-yloxycarbonylamino]hexanoyl}-4-oxopyrrolidine-3-carboxylic acid ethyl ester；1-{6-[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-yloxycarbonylamino]hexanoyl}-4-oxopyrrolidine-3-carboxylic acid ethyl ester；(3S,8S,9S,10R,13R,14S,17R)-1-{6-[17-((R)-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}-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester；[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
• CAS: 786681-45-6
• 化学式: C₄₁H₆₆N₂O₆
• 分子量: 682.985
• InChiKey: SGNSBFALHLLMAE-ITERUJADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.27
• 重原子数：
  49.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  102.01
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  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}-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 以89%的产率得到[6-(3-hydroxy-4-hydroxymethylpyrrolidin-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
  参考文献：
  名称：

  Lipid formulated compositions and methods for inhibiting expression of transthyretin (TTR)

  摘要：

  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。

  公开号：

  US09101643B2
• 作为产物：
  描述：

  3-({6-[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-yloxycarbonylamino]hexanoyl}ethoxycarbonylmethylamino)propionic acid ethyl ester 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以39%的产率得到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}-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Compositions and Methods for Inhibiting Expression of Eg5 and VEGF Genes

  摘要：

  本发明涉及含有双链核糖核酸(dsRNA)的SNALP配方的组合物，以及使用这些组合物来抑制Eg5和血管内皮生长因子(VEGF)的表达的方法，以及使用这些组合物来治疗由Eg5和VEGF表达介导的病理过程的方法，如癌症。

  公开号：

  US20160000819A1

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 a Gene from the Ebola Virus
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20150353934A1

  公开（公告）日：2015-12-10

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

  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。
• 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)。
• GNAQ targeted dsRNA compositions and methods for inhibiting expression
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US09566295B2

  公开（公告）日：2017-02-14

  The invention relates to a double-stranded ribonucleic acid (dsRNA) targeting a G-alpha q subunit (GNAQ) of a heterotrimeric G gene, and methods of using the dsRNA to inhibit expression of GNAQ.

  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。