(1S,3'R,4'S,5'S,6'R)-5-chloro-6-[(4-(2,2-difluoroethyl)phenyl)methyl]-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol | 1005142-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: (1S,3'R,4'S,5'S,6'R)-5-chloro-6-[(4-(2,2-difluoroethyl)phenyl)methyl]-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol
• 英文别名: (1S,3'R,4'S,5'R,6'R)-5-chloro-6-[(4-(2,2-difluoroethyl)phenyl)methyl]-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol；(3S,3'R,4'S,5'S,6'R)-6-chloro-5-[[4-(2,2-difluoroethyl)phenyl]methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
• CAS: 1005142-04-0
• 化学式: C₂₂H₂₃ClF₂O₆
• 分子量: 456.871
• InChiKey: NTKLGVQPVKOTLL-VOFPXKNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES
  申请人：Sato Tsutomu

  公开号：US20110275703A1

  公开（公告）日：2011-11-10

  The present invention provides a compound represented by Formula (II): wherein R 1 is a chlorine atom, a fluorine atom, a methyl group or an ethynyl group; Ar is a group represented by the following Formula (a), Formula (b), Formula (c) or Formula (d): wherein R 2 is a C 1-6 alkyl group which may be substituted with one or more halogen atoms, a C 1-6 alkoxy group which may be substituted with one or more halogen atoms, a C 1-3 alkylthio group, a halogen atom, a C 1-3 alkylcarbonyl group or a C 2-5 alkynyl group which may be substituted with —OR 4 ; R 3 is a hydrogen atom or a C 1-3 alkyl group; R 4 is a hydrogen atom or a C 1-3 alkyl group; provided that Ar is a group represented by Formula (a) when R 1 is a fluorine atom, methyl group or an ethynyl group, and that R 2 is methoxy group, an ethoxy group, an isopropyl group, a propyl group, a trifluoromethyl group, a trifluoromethoxy group, 2-fluoroethyl group or 1-propynyl group when R 1 is a methyl group or a pharmaceutically acceptable salt or a solvate thereof and a pharmaceutical agent, a pharmaceutical composition and so on comprising the compound.

  本发明提供了一种由式（II）表示的化合物：其中R1是氯原子、氟原子、甲基基团或乙炔基；Ar是由以下式（a）、式（b）、式（c）或式（d）表示的基团：其中R2是可以用一个或多个卤素原子取代的C1-6烷基基团、可以用一个或多个卤素原子取代的C1-6烷氧基团、C1-3烷基硫基团、卤素原子、C1-3烷基羰基团或可以用—OR4取代的C2-5炔基团；R3是氢原子或C1-3烷基基团；R4是氢原子或C1-3烷基基团；前提是当R1是氟原子、甲基基团或乙炔基时，Ar是由式（a）表示的基团，当R1是甲基基团时，R2是甲氧基团、乙氧基团、异丙基团、丙基团、三氟甲基团、三氟甲氧基团、2-氟乙基基团或1-丙炔基团；以及包括该化合物的药学上可接受的盐或溶剂，以及包括药物代理、药物组合物等的制药剂。
• SUBSTITUTED SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP2048153A1

  公开（公告）日：2009-04-15

  The present invention provides a compound represented by Formula (II): wherein R1 is a chlorine atom, a fluorine atom, a methyl group or an ethynyl group; Ar is a group represented by the following Formula (a), Formula (b), Formula (c) or Formula (d): wherein R2 is a C1-6 alkyl group which may be substituted with one or more halogen atoms, a C1-6 alkoxy group which may be substituted with one or more halogen atoms, a C1-3 alkylthio group, a halogen atom, a C1-3 alkylcarbonyl group or a C2-5 alkynyl group which may be substituted with -OR4; R3 is a hydrogen atom or a C1-3 alkyl group; R4 is a hydrogen atom or a C1-3 alkyl group; provided that Ar is a group represented by Formula (a) when R1 is a fluorine atom, methyl group or an ethynyl group, and that R2 is methoxy group, an ethoxy group, an isopropyl group, a propyl group, a trifluoromethyl group, a trifluoromethoxy group, 2-fluoroethyl group or 1-propynyl group when R1 is a methyl group or a pharmaceutically acceptable salt or a solvate thereof and a pharmaceutical agent, a pharmaceutical composition and so on comprising the compound.

  本发明提供了一种由式 (II) 表示的化合物： 其中 R1 是氯原子、氟原子、甲基或乙炔基； Ar 是由下式(a)、式(b)、式(c)或式(d)代表的基团： 其中 R2 是可被一个或多个卤素原子取代的 C1-6 烷基、可被一个或多个卤素原子取代的 C1-6 烷氧基、C1-3 烷硫基、卤素原子、C1-3 烷羰基或可被-OR4 取代的 C2-5 烷炔基； R3 是氢原子或 C1-3 烷基； R4 是氢原子或 C1-3 烷基； 当 R1 为氟原子、甲基或乙炔基时，Ar 为式(a)所代表的基团，且 当 R1 为甲基时，R2 为甲氧基、乙氧基、异丙基、丙基、三氟甲基、三氟甲氧基、2-氟乙基或 1-丙炔基，或其药学上可接受的盐或溶液，以及包含该化合物的药剂、药物组合物等。