1-Benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol | 72458-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
• CAS: 72458-46-9；138949-50-5
• 化学式: C₁₃H₁₉NO₄
• 分子量: 253.298
• InChiKey: BTIIGIMBIARTEA-UHFFFAOYSA-N

物化性质

• 沸点：
  475.8±45.0 °C(Predicted)
• 密度：
  1.366±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  84.2
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• [EN] 2-HYDROXYMETHYL-3,4,5-TRIHYDROXY-1-BENZILPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUCOSYLCERAMIDE<br/>[FR] DERIVES DE 2- HYDROXYMETHYL-3,4,5-TRIHYDROXY-1-BENZYLPIPERIDINE UTILISES COMME INHIBITEURS DE LA GLUCOSYLCERAMIDE
  申请人：OXFORD GLYCOSCIENCES UK LTD

  公开号：WO2004111002A1

  公开（公告）日：2004-12-23

  Compounds of formula (I) wherein R represents a substituted benzyl group, are useful as inhibitors of glucosylceramide synthase.

  式（I）中R代表取代苄基团的化合物，可用作葡萄糖鞘氨醇合酶的抑制剂。
• 2-HYDROXYMETHYL-3,4,5-TRIHYDROXY-1BENZYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS)
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1636186A1

  公开（公告）日：2006-03-22
• 2-Hydroxymethyl-3,4,5-trihydroxy-1-benzilpiperidine derivatives as inhibitors of glucosylceramide
  申请人：Orchard Glen Michael

  公开号：US20070112028A1

  公开（公告）日：2007-05-17

  Compounds of formula (I): wherein R represents a substituted benzyl group, are useful as inhibitors of glucosylceramide synthase.
• COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS
  申请人：De Moor Olivier

  公开号：US20110195929A1

  公开（公告）日：2011-08-11

  Described are various compounds and methods for the treatment of flaviviral infections. In particular, alkaloids and imino sugars in arabinose and/or lyxose stereochemical configuration with antiflaviviral activity are described.
• TREATMENT OF LYSOSOMAL STORAGE DISORDERS AND OTHER PROTEOSTATIC DISEASES
  申请人：De Moor Olivier

  公开号：US20110237538A1

  公开（公告）日：2011-09-29

  Described are various compounds, in particular iminosugars, and methods for the treatment of proteostatic diseases, in particular lysosomal storage disorders. The compound may be a pharmacoperone of an enzyme selected from: (a) Acid alpha-glucosidase; (b) Acid beta-glucosidase; (c) glucocerebrosidase; (d) alpha-Galactosidase A; (e) Acid beta-galactosidase; (f) beta-Hexosaminidase A; (g) beta-Hexosaminidase B; (h) Acid sphingomyelinase; (i) Galactocerebrosidase; (j) Acid ceramidase; (k) Arylsulfatase A; (l) alpha-L-Iduronidase; (m) Iduronate-2-sulfatase; (n) Heparan N-sulfatase; (o) alpha-N-Acetylglucosaminidase; (p) Acetyl-CoA: alpha-glucosaminide N-acetyltransferase; (q) N-Acetylglucosamine-6-sulfate sulfatase; (r) N-Acetylgalactosamine-6-sulfate sulfatase; (s) Acid beta-galactosidase; (t) Arylsulfatase B; (u) beta-Glucuronidase; (v) Acid alpha-mannosidase; (w) Acid beta-mannosidase; (x) Acid alpha-L-fucosidase; (y) Sialidase; and (z) alpha-N-acetylgalactosaminidase.