(1S,3'R,4'S,5'S,6'R)-5-chloro-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-6-[(4-methylphenyl)methyl]-spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol | 1005141-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: (1S,3'R,4'S,5'S,6'R)-5-chloro-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-6-[(4-methylphenyl)methyl]-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-3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-6-[(4-methylphenyl)methyl]-spiro[isobenzofuran-1(3H),2'-[2H]pyran]-3',4',5'-triol；(3S,3'R,4'S,5'S,6'R)-6-chloro-6'-(hydroxymethyl)-5-[(4-methylphenyl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
• CAS: 1005141-88-7
• 化学式: C₂₁H₂₃ClO₆
• 分子量: 406.863
• InChiKey: HTNLAXMNAUNZPG-ADAARDCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

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。
• 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL
  申请人：DE VRIES Frerich

  公开号：US20110237532A1

  公开（公告）日：2011-09-29

  The present invention provides a pharmaceutical composition comprising 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine or a pharmaceutically acceptable form thereof as pharmaceutically active compound for the therapy of a metabolic disorder or metabolic disease of a predominantly carnivorous non-human animal. It is especially useful for the therapy of diabetes and related diseases of predominantly carnivorous mammals like cats or dogs. The invention further provides respective uses of such compositions and of 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine or pharmaceutically acceptable forms thereof.
• 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-AXANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL
  申请人：DE VRIES Frerich

  公开号：US20140228287A1

  公开（公告）日：2014-08-14

  A pharmaceutical composition includes 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine or a pharmaceutically acceptable form thereof as pharmaceutically active compound for the therapy of a metabolic disorder or metabolic disease of a predominantly carnivorous non-human animal. It is especially useful for the therapy of diabetes and related diseases of predominantly carnivorous mammals like cats or dogs. The invention further provides respective uses of such compositions and of 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(R)-amino-piperidin-1-yl]-xanthine or pharmaceutically acceptable forms thereof.