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 | 786681-48-9

• 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: 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
• 英文别名: succinic acid mono-(4-[bis-(4-methoxyphenyl)phenylmethoxy]methyl-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}pyrrolidin-3-yl) ester；succinic acid mono-(4-[bis-(4-methoxyphenyl)phenylmethoxymethyl]-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}pyrrolidin-3-yl) ester；succinic acid mono(4-[bis-(4-methoxyphenyl)phenylmethoxymethyl]-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}pyrrolidin-3-yl) ester；succinic acid mono-(4-[bis(4-methoxyphenyl)phenylmethoxymethyl]-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}pyrrolidin-3-yl) ester；succinic acid mono-(4-[bis-(4-methoxyphenyl)phenylmethoxymethyl]-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}pyrrolidin-3-yl)ester；succinic acid mono-(4-[bis(4-methoxyphenyl)phenylmethoxymethyl]-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}pyrrolidin-3-yl)ester
• CAS: 786681-48-9
• 化学式: C₆₄H₈₈N₂O₁₀
• 分子量: 1045.41
• InChiKey: NRLFEQKAYHGMPG-LBDNIRRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.94
• 重原子数：
  76.0
• 可旋转键数：
  24.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  149.93
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  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 在 4-二甲氨基吡啶 、 2,2'-二硫双(5-硝基吡啶) 、 三苯基膦 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 2.08h， 生成
  参考文献：
  名称：

  COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF A GENE FROM THE EBOLA

  摘要：

  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)。

  公开号：

  US20090143323A1
• 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 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 potassium tert-butylate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 17.83h， 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：

  Compositions And Methods For Inhibiting Expression Of GSK-3 Genes

  摘要：

  这项发明涉及一种靶向糖原合成酶激酶-3（GSK-3）的双链核糖核酸（dsRNA），以及使用该dsRNA抑制GSK-3表达的方法。

  公开号：

  US20160024497A1

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。
• 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。
• 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)。
• Compositions and Methods for Inhibiting Expression of Eg5 and VEGF Genes
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：US20160000819A1

  公开（公告）日：2016-01-07

  This invention relates to compositions containing double-stranded ribonucleic acid (dsRNA) in a SNALP formulation, and methods of using the compositions to inhibit the expression of the Eg5 and Vascular Endothelial Growth Factor (VEGF), and methods of using the compositions to treat pathological processes mediated by Eg5 and VEGF expression, such as cancer.

  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。