methyl S-β-D-galactopyranosylmercaptobutyrate | 220280-91-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl S-β-D-galactopyranosylmercaptobutyrate
• 英文别名: methyl 4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutanoate
• CAS: 220280-91-1
• 化学式: C₁₁H₂₀O₇S
• 分子量: 296.342
• InChiKey: ODXQEKDXFRNTSH-WIAVHCEMSA-N

物化性质

• 沸点：
  515.4±50.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  methyl S-β-D-galactopyranosylmercaptobutyrate 在 咪唑 、 lithium hydroxide 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[[(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]sulfanyl]butanoic acid
  参考文献：
  名称：

  Combinatorial solid-phase synthesis using D-galactose as a chiral five-dimension-deversity scaffold

  摘要：

  All five hydroxy groups of galactose as the scaffold are used for selective coupling of side chains in a combinatorial methodology by application of a set of orthogonally stable protecting groups in combination with a thioglycoside anchor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01690-1
• 作为产物：
  描述：

  阿哌沙班杂质61 在 三氟化硼乙醚 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 methyl S-β-D-galactopyranosylmercaptobutyrate
  参考文献：
  名称：

  Combinatorial solid-phase synthesis using D-galactose as a chiral five-dimension-deversity scaffold

  摘要：

  All five hydroxy groups of galactose as the scaffold are used for selective coupling of side chains in a combinatorial methodology by application of a set of orthogonally stable protecting groups in combination with a thioglycoside anchor. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01690-1

文献信息

• Substituted tetrahydropyrane derivatives, method for producing same, their use as medicine or diagnostic agent, as well as medicine containing same
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06756489B1

  公开（公告）日：2004-06-29

  Substituted tetrahydropyran derivatives, processes for their preparation, their use as a pharmaceutical or diagnostic, and pharmaceutical comprising them. The invention relates to compounds of the formula I in which the radicals R1, R2, R3, R4, R5 and X have the meaning mentioned in the description, a process for the preparation of the compounds of the formula I on a solid phase, and their use as pharmaceuticals.

  取代的四氢吡喃衍生物，其制备方法，作为药用或诊断用途的使用，以及包含它们的药物。本发明涉及以下式I的化合物 其中基团R1、R2、R3、R4、R5和X的含义如描述中所述，一种在固相上制备上述式I化合物的方法，以及它们作为药物的用途。
• US6756489B1
  申请人：——

  公开号：US6756489B1

  公开（公告）日：2004-06-29
• Combinatorial solid-phase synthesis using D-galactose as a chiral five-dimension-deversity scaffold
  作者：Christopher Kallus、Till Opatz、Tobias Wunberg、Wolfgang Schmidt、Stefan Henke、Horst Kunz

  DOI：10.1016/s0040-4039(99)01690-1

  日期：1999.10

  All five hydroxy groups of galactose as the scaffold are used for selective coupling of side chains in a combinatorial methodology by application of a set of orthogonally stable protecting groups in combination with a thioglycoside anchor. (C) 1999 Elsevier Science Ltd. All rights reserved.