1,5-anhydro-3-[(tert-butoxycarbonyl)amino]-3,4-dideoxy-4-ethyl-D-xylitol | 428444-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 1,5-anhydro-3-[(tert-butoxycarbonyl)amino]-3,4-dideoxy-4-ethyl-D-xylitol
• 英文别名: tert-butyl N-[(3S,4S,5R)-3-ethyl-5-hydroxyoxan-4-yl]carbamate
• CAS: 428444-60-4
• 化学式: C₁₂H₂₃NO₄
• 分子量: 245.319
• InChiKey: JUACEABITCQOGY-UTLUCORTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,5-anhydro-3-azido-2-O-benzyl-3,4-dideoxy-4-ethyl-D-xylitol 、 二碳酸二叔丁酯 、 Ethyl acetate pentane 、 toluene-ethyl acetate 在 钯 氢气 、 silica gel 、 toluene-ethyl acetate 作用下， 以 乙酸乙酯 、 乙醇乙酸乙酯 为溶剂， 反应 19.0h， 以gave 59 mg, 71% of the desired monool as a colourless solid的产率得到1,5-anhydro-3-[(tert-butoxycarbonyl)amino]-3,4-dideoxy-4-ethyl-D-xylitol
  参考文献：
  名称：

  Cysteine protease inhibitors

  摘要：

  Cathepsin S是一种高活性的半胱氨酸蛋白酶，属于木瓜蛋白酶超家族。它主要存在于淋巴结、脾脏和巨噬细胞中，这种有限的出现表明该酶可能参与退行性疾病的发病机制。本发明涉及新型蛋白酶抑制剂，特别是木瓜蛋白酶超家族的半胱氨酸蛋白酶抑制剂，尤其是Cathepsin S。这些抑制剂是具有特征性非氢取代基R5的呋喃酮衍生物式（II）。它们对家族中的其他成员具有选择性，特别是对L和K等Cathepsin家族的其他成员表现出选择性。

  公开号：

  US20030203900A1

文献信息

• CYSTEINE PROTEASE INHIBITORS
  申请人：Medivir UK Ltd

  公开号：EP1345931A2

  公开（公告）日：2003-09-24
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE CYSTÉINE PROTÉASE
  申请人：MEDIVIR UK LTD

  公开号：WO2002040462A2

  公开（公告）日：2002-05-23

  Compound s of the formula A compound of the formula IV where R1 is R'-C(=O)- or R'-S(=O)2-R' is X, = O, S, NH, W, Y, Z = CH, N;R'' = single or multiple ring substitution combinations taken from: H, C1-7-alkyl, C3-6-cycloalkyl, OH, SH, amine, halogen; R3 = C1-7-alkyl, C2-C7 alkenyl, C3-7-cycloalkyl, Ar, Ar-C1-7-alkyl C3-6cycloalkyl; R4 = H, C1-7-alkyl, C3-7-cycloalkyl; C2-7alkenyl, Ar, Ar-C1-C7-alkyl; R5 = C1-7-alkyl, hydroxy- or halo-substituted C1-C7alkylhalogen, Ar-C1-7-alkyl, C0-3-alkyl-CONR3R4 or a bulky amine function; R6 = H, C1-7-alkyl, Ar-C1-7-alkyl, C1-3-alkyl-SO2-Rix, C1-3-alkyl-C(O)-NHRix or CH2XAr; and pharmaceutically acceptable salts thereof have utility as inhibitors of cysteine proteases such as cathepsin S and falcipain.
• [EN] CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE LA CYSTEINE PROTEASE
  申请人：MEDIVIR AB

  公开号：WO2002088106A2

  公开（公告）日：2002-11-07

  In formula (IV) R1 = R'C(O), R'SO2, R' = a bicyclic, saturated or unsaturated, 8-12 membered ring system containing 0-4 hetero atoms selected from S, O and N, which is optionally substituted with up to four substituents independently selected from groups a), b), and c) below; or R'= a monocyclic, saturated or unsaturated, 5-7 membered ring containing 0-3 hetero atoms selected from S, O and N, which monocyclic ring bears at least one substituent selected from group a) and/or c) and which may optionally bear one or two further substituents selected from group b); R4 = H, C1-7-alkyl, Ar-C1-7-alkyl, Ar, C3-7-cycloalkyl; C2-7-alkenyl; R3 = C1-7-alkyl, C2-C7 alkenyl, C2-C7 alkenyl, C3-7-cycloalkyl, Ar-C1-7-alkyl, Ar; R5 = C1-7-alkyl, halogen, Ar-C1-7-alkyl, C0-3-alkyl-CONR3R4 or a bulky amine, R6 is H, C1-7-alkyl, Ar-C1-7-alkyl, C1-3-alkyl-SO2-Rix, C1-3-alkyl-C(O)-NHRix or CH¿2?XAr, q is 0 or 1, have utility as inhibitors of cysteine proteases such as cathepsin K and falcipain.