(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octan-2-yloxyoxane-3,4,5-triol | 1361410-54-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octan-2-yloxyoxane-3,4,5-triol
• CAS: 1361410-54-9
• 化学式: C₁₄H₂₈O₆
• 分子量: 292.373
• InChiKey: RZUKHMQCCZDHIS-IZVWSYFDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  D-葡萄糖 、 仲辛醇 在 氨基磺酸 作用下， 反应 7.0h， 生成 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octan-2-yloxyoxane-3,4,5-triol 、 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octan-2-yloxyoxane-3,4,5-triol
  参考文献：
  名称：

  Efficient glycosylation of unprotected sugars using sulfamic acid: A mild eco-friendly catalyst

  摘要：

  Sulfamic acid, a mild and environmentally benign catalyst has been successfully used in the Fischer glycosylation of unprotected sugars for the preparation alkyl glycosides. A diverse range of aliphatic alcohols have been used to prepare a series of alkyl glycosides in good to excellent yield. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2011.07.016

文献信息

• ISOINDOLINE INHIBITORS OF ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS, INC.

  公开号：US20160122318A1

  公开（公告）日：2016-05-05

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了化合物的新颖结构式（I）：其药用盐，以及其药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含新颖结构式（I）化合物的药物组合物，以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。
• [EN] MODULATORS OF ROR-GAMMA<br/>[FR] MODULATEURS DE ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2017024018A1

  公开（公告）日：2017-02-09

  Provided are novel compounds of Formula I: pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula I and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了式I的新化合物：其药用盐以及药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含式I新化合物的药物组合物以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。
• DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：US20160122345A1

  公开（公告）日：2016-05-05

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了化合物的新颖结构（I）：其药用盐，以及其药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含新颖结构（I）化合物的药物组合物，以及在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中使用它们的方法。
• [EN] DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA<br/>[FR] INHIBITEURS DE ROR-GAMMA À BASE DE DIHYDROPYRROLOPYRIDINE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2016061160A1

  公开（公告）日：2016-04-21

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了式（I）的新化合物：其药用盐以及药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含式（I）的新化合物的药物组合物，以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。
• Method of identifying inhibitors of Lck
  申请人：——

  公开号：US20030175935A1

  公开（公告）日：2003-09-18

  The present invention relates to polypeptides which comprise the ligand binding domain of Lck, crystalline forms of these polypeptides, and the use of these crystalline forms to determine the three dimensional structure of the catalytic domain of Lck. The invention also relates to the use of the three dimensional structure of the Lck catalytic domain both alone, or in complex with inhibitors, in methods of designing and/or identifying potential inhibitors of Lck activity, for example, compounds which inhibit the binding of a native substrate to the Lck catalytic domain. The invention also relates to the use of the three dimensional structure of the Lck catalytic domain both alone, or in complex with inhibitors, in methods of designing and/or identifying potential selective inhibitors of Lck activity, for example, compounds which inhibit the binding of a native substrate to the Lck catalytic domain selectively.

  本发明涉及包含Lck配体结合域的多肽、这些多肽的结晶形式，以及使用这些结晶形式来确定Lck催化域的三维结构。本发明还涉及使用Lck催化域的三维结构，单独或与抑制剂复合物一起，设计和/或识别Lck活性的潜在抑制剂的方法，例如抑制天然底物与Lck催化域的结合的化合物。本发明还涉及使用Lck催化域的三维结构，单独或与抑制剂复合物一起，设计和/或识别Lck活性的潜在选择性抑制剂的方法，例如选择性抑制天然底物与Lck催化域的结合的化合物。