[(3R,10S,13S)-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-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[[(3R,10S,13S)-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]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy-hydroxyphosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate

• 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: [(3R,10S,13S)-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-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[[(3R,10S,13S)-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]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy-hydroxyphosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy]ethyl]carbamate
• 化学式: C₇₆H₁₃₄N₂O₁₈P₂
• 分子量: 1425.8
• InChiKey: NHRUXUAGRRQTRS-WRDXHGDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  98
• 可旋转键数：
  46
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  244
• 氢给体数：
  4
• 氢受体数：
  18

文献信息

• CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY
  申请人：Vargeese Chandra

  公开号：US20090264636A1

  公开（公告）日：2009-10-22

  This invention features conjugates, degradable linkers, compositions, methods of synthesis, and applications thereof, including cholesterol, folate, galactose, galactosamine, N-acetyl galactosamine, PEG, phospholipid, peptide and human serum albumin (HSA) derived conjugates of biologically active compounds, including antibodies, antivirals, chemotherapeutics, peptides, proteins, hormones, nucleosides, nucleotides, non-nucleosides, and nucleic acids including enzymatic nucleic acids, DNAzymes, allozymes, antisense, dsRNA, siNA, siRNA, triplex oligonucleotides, 2,5-A chimeras, decoys and aptamers.

  本发明涉及共轭物、可降解连接剂、组合物、合成方法及其应用，包括胆固醇、叶酸、半乳糖、半乳氨酸、N-乙酰半乳氨酸、PEG、磷脂、肽和人血清白蛋白（HSA）衍生的生物活性化合物共轭物，包括抗体、抗病毒药物、化学治疗药物、肽、蛋白质、激素、核苷、核苷酸、非核苷类化合物和核酸，包括酶促核酸、DNA酶、异酶、反义、dsRNA、siNA、siRNA、三链寡核苷酸、2,5-A嵌合体、假靶和适配体。
• Conjugates and Compositions for Cellular Delivery
  申请人：CHEN Tongqian

  公开号：US20110124853A1

  公开（公告）日：2011-05-26

  This invention features conjugates, degradable linkers, compositions, methods of synthesis, and applications thereof, including cholesterol, folate, galactose, galactosamine, N-acetyl galactosamine, PEG, phospholipid, peptide and human serum albumin (HSA) derived conjugates of biologically active compounds, including antibodies, antivirals, chemotherapeutics, peptides, proteins, hormones, nucleosides, nucleotides, non-nucleosides, and nucleic acids including enzymatic nucleic acids, DNAzymes, allozymes, antisense, dsRNA, siNA, siRNA, triplex oligonucleotides, 2,5-A chimeras, decoys and aptamers.

  本发明涉及共轭物、可降解连接剂、组合物、合成方法及其应用，包括胆固醇、叶酸、半乳糖、半乳氨基糖、N-乙酰半乳氨基糖、PEG、磷脂、肽和人血清白蛋白（HSA）衍生的生物活性化合物共轭物，包括抗体、抗病毒药物、化疗药物、肽、蛋白质、激素、核苷、核苷酸、非核苷类化合物以及包括酶式核酸、DNA酶、异酶、反义、dsRNA、siNA、siRNA、三重螺旋寡核苷酸、2,5-A嵌合体、诱饵和适配体在内的核酸。
• RNA interference mediated inhibition of gene expression using chemically modified short interfering nucleic acid (siNA)
  申请人：McSwiggen James

  公开号：US20070004663A1

  公开（公告）日：2007-01-04

  The present invention concerns methods and reagents useful in modulating gene expression in a variety of applications, including use in therapeutic, diagnostic, target validation, and genomic discovery applications. Specifically, the invention relates to synthetic chemically modified small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules capable of mediating RNA interference (RNAi) against target nucleic acid sequences. The small nucleic acid molecules are useful in the treatment of any disease or condition that responds to modulation of gene expression or activity in a cell, tissue, or organism.
• RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING CHEMICALLY MODIFIED SHORT INTERFERING NUCLEIC ACID (siNA)
  申请人：McSwiggen James

  公开号：US20070167393A1

  公开（公告）日：2007-07-19

  The present invention concerns methods and reagents useful in modulating gene expression in a variety of applications, including use in therapeutic, diagnostic, target validation, and genomic discovery applications. Specifically, the invention relates to synthetic chemically modified small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules capable of mediating RNA interference (RNAi) against target nucleic acid sequences. The small nucleic acid molecules are useful in the treatment of any disease or condition that responds to modulation of gene expression or activity in a cell, tissue, or organism.
• RNA Interference Mediated Inhibition of Gene Expression Using Chemically Modified Short Interfering Nucleic Acid (siNA)
  申请人：BEIGELMAN LEONID

  公开号：US20100240730A1

  公开（公告）日：2010-09-23

  The present invention concerns methods and reagents useful in modulating gene expression in a variety of applications, including use in therapeutic, cosmetic, cosmeceutical, prophylactic, diagnostic, target validation, and genomic discovery applications. Specifically, the invention relates to synthetic chemically modified small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules capable of mediating RNA interference (RNAi) against target nucleic acid sequences. The small nucleic acid molecules are useful in the treatment of disease (e.g., cancer, proliferative, inflammatory, metabolic, autoimmune, neurologic, ocular diseases), condition, trait (e.g., hair growth and removal), genotype and phenotype that responds to modulation of gene expression or activity in a cell, tissue, or organism. Such small nucleic acid molecules can be administered systemically, locally, or topically.