5-S-isobutyl-5'-thioinosine | 67739-76-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: 5-S-isobutyl-5'-thioinosine
• 英文别名: 5'-Desoxy-5'-S-(isobutyl)-5'-thio-inosin；S-isobutyl-5'-thio-inosine；5'-Isobutylthioinosine；9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(2-methylpropylsulfanylmethyl)oxolan-2-yl]-1H-purin-6-one
• CAS: 67739-76-8
• 化学式: C₁₄H₂₀N₄O₄S
• 分子量: 340.403
• InChiKey: CMFIWMWBTZQTQH-IDTAVKCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-S-isobutyl-5'-thioinosine 、 L-丝氨酸甲酯盐酸盐 、 光气 以to give 42 grams of desired product的产率得到甲基2-氧代-1,3-恶唑烷-4-羧酸酯
  参考文献：
  名称：

  Oxazolidin-2-one and thiazolidin-2-one derivatives for use as ep4 receptor agonists in the treatment of glaucoma

  摘要：

  本发明涉及E2前列腺素受体EP4亚型的高效选择性激动剂，以及它们在治疗青光眼和其他与患者眼内压升高有关的疾病中的使用或配制。本发明还涉及本发明化合物在介导成骨细胞和破骨细胞的骨建模和重塑过程中的使用。

  公开号：

  US20060154899A1
• 作为产物：
  描述：

  5'-异丁基硫代-5'-脱氧腺苷 在 phosphate buffer pH 6.8 、 乙硫醇 作用下， 以 水 为溶剂， 以82%的产率得到5-S-isobutyl-5'-thioinosine
  参考文献：
  名称：

  Nucleic Acid Related Compounds. 82. Conversions of Adenosine to Inosine 5′-Thioether Derivatives withAspergillus oryzaeAdenosine Deaminase or Alkyl Nitrites. Substrate and Inhibitory Activities of Inosine 5′-Thioether Derivatives with Purine Nucleoside Phosphorylase

  摘要：

  Adenosine derivatives lacking a 5'-hydroxyl group seldom act as alternative substrates of adenosine deaminases from calf intestine and other mammalian sources. A deaminase from Aspergillus oryzae deaminated adenosine 5'-thioether derivatives cleanly and more efficiently than alkyl nitrites. The inosine derivatives were very poor alternative substrates and weak inhibitors of purine nucleoside phosphorylase.

  DOI：

  10.1080/15257779408013249

文献信息

• Synthesis of 2-methyl-1-naphthol
  申请人：Clairol, Inc.

  公开号：US05420362A1

  公开（公告）日：1995-05-30

  4-Halo-1-naphthol is reacted with a secondary amine and formaldehyde to produce a reaction mixture containing a Mannich base which is hydrogenated to produce 2-methyl-1-naphthol. Advantageously, the procedure can be carried out in one pot.

  4-卤代-1-萘酚与二级胺和甲醛反应，产生含有Mannich碱的反应混合物，该混合物经氢化反应后生成2-甲基-1-萘酚。该方法具有优点，可以在一个反应器中完成。
• Oxazolidin-2-one and thiazolidin-2-one derivatives for use as ep4 receptor agonists in the treatment of glaucoma
  申请人：Han Yongxin

  公开号：US20060154899A1

  公开（公告）日：2006-07-13

  This invention relates to potent selective agonists of the EP 4 subtype of prostaglandin E2 receptors, their use or a formulation thereof in the treatment of glaucoma and other conditions which are related to elevated intraocular pressure in the eye of a patient. This invention further relates to the use of the compounds of this invention for mediating the bone modeling and remodeling processes of the osteoblasts and osteoclasts.

  本发明涉及E2前列腺素受体EP4亚型的高效选择性激动剂，以及它们在治疗青光眼和其他与患者眼内压升高有关的疾病中的使用或配制。本发明还涉及本发明化合物在介导成骨细胞和破骨细胞的骨建模和重塑过程中的使用。
• EP4 receptor agonist, compositions and methods thereof
  申请人：Han Yongxin

  公开号：US20060270721A1

  公开（公告）日：2006-11-30

  This invention relates to potent selective agonists of the EP 4 subtype of prostaglandin E2 receptors, their use or a formulation thereof in the treatment of glaucoma and other conditions which are related to elevated intraocular pressure in the eye of a patient. This invention further relates to the use of the compounds of this invention for mediating the bone modeling and remodeling processes of the osteoblasts and osteoclasts.

  本发明涉及到前列腺素E2受体EP4亚型的有效选择性激动剂，其在治疗青光眼和其他与患者眼内高眼压相关的疾病的使用或制剂中的使用。本发明还涉及到利用本发明化合物介导成骨细胞和破骨细胞的骨建模和重塑过程的使用。
• Photochromic naphthopyrans, compositions and articles containing them
  申请人：Corning Incorporated

  公开号：US06096246A1

  公开（公告）日：2000-08-01

  The invention relates to photochromic compounds of general formula (I), in which: R3 and R5 are C1-C6 alkoxy groups and the rest of the R groups represent various substituents. ##STR1##

  该发明涉及一般式（I）的光致变色化合物，其中：R3和R5为C1-C6烷氧基，其余的R基代表各种取代基。 ##STR1##
• Nucleic Acid Related Compounds. 82. Conversions of Adenosine to Inosine 5′-Thioether Derivatives with<i>Aspergillus oryzae</i>Adenosine Deaminase or Alkyl Nitrites. Substrate and Inhibitory Activities of Inosine 5′-Thioether Derivatives with Purine Nucleoside Phosphorylase
  作者：Stanislaw F. Wnuk、Johanna D. Stoeckler、Morris J. Robins

  DOI：10.1080/15257779408013249

  日期：1994.3

  Adenosine derivatives lacking a 5'-hydroxyl group seldom act as alternative substrates of adenosine deaminases from calf intestine and other mammalian sources. A deaminase from Aspergillus oryzae deaminated adenosine 5'-thioether derivatives cleanly and more efficiently than alkyl nitrites. The inosine derivatives were very poor alternative substrates and weak inhibitors of purine nucleoside phosphorylase.