1,5-Anhydro-3,4-O-cyclohexylidene-L-arabinitol | 428444-46-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,5-Anhydro-3,4-O-cyclohexylidene-L-arabinitol
• 英文别名: (3aS,7S,7aR)-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-ol
• CAS: 428444-46-6
• 化学式: C₁₁H₁₈O₄
• 分子量: 214.262
• InChiKey: LCEXZWQLKDXEJK-LPEHRKFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Cysteine protease inhibitors
  申请人：——

  公开号：US20030186962A1

  公开（公告）日：2003-10-02

  of the formula (IV): 1 where: 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; C2-7alkenyl; 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, C1-3-alkyl-CONR3R4 or a bulky amine R6 is H, C1-7-alkyl, Ar-C1-7-alkyl, C1-3-alkyl-SO2-R ix , C1-3-alkyl-C(O)—NHR ix or CH 2 XAr q is 0 or 1 have utility as inhibitors of cysteine proteases such as cathepsin K and falcipain.

  公式（IV）的翻译如下： 其中： R1=R′C(O)，R′SO2， R′=含有0-4个来自S、O和N的杂原子的8-12元环系统，可以选择饱和或不饱和的双环，可选地取代最多四个从下面的a)、b)和c)组中独立选择的取代基；或 R′=含有0-3个来自S、O和N的杂原子的5-7元环，该单环至少带有从a)组和/或c)组中选择的一个取代基，并且可选地带有从b)组中选择的一个或两个进一步的取代基； R4=H，C1-7-烷基，Ar-C1-7-烷基，Ar，C3-7-环烷基；C2-7-烯基； R3=C1-7-烷基，C2-C7烯基，C2-C7烯基，C3-7-环烷基，Ar-C1-7-烷基，Ar； R5=C1-7-烷基，卤素，Ar-C1-7-烷基，C1-3-烷基-CONR3R4或体积庞大的胺 R6为H，C1-7-烷基，Ar-C1-7-烷基，C1-3-烷基-SO2-R ix ，C1-3-烷基-C(O)—NHR ix 或CH 2 XAr q为0或1 具有作为半胱氨酸蛋白酶抑制剂的实用性，例如卡特普辛K和疟原虫蛋白酶。
• 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.