(3'R,4'S,5S,5'R,6'R)-3-[(4-ethylphenyl)methyl]-6'-hydroxymethyl-3',4',5',6'-tetrahydrospiro[thieno[2,3-f]isobenzofuran-5(7H),2'-[2H]pyran]-3',4',5'-triol | 1004779-80-9

• 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: (3'R,4'S,5S,5'R,6'R)-3-[(4-ethylphenyl)methyl]-6'-hydroxymethyl-3',4',5',6'-tetrahydrospiro[thieno[2,3-f]isobenzofuran-5(7H),2'-[2H]pyran]-3',4',5'-triol
• 英文别名: (3'r,4's,5s,5's,6'r)-3-[(4-Ethylphenyl)methyl]-6'-hydroxymethyl-3',4',5',6'-tetrahydro-spiro[thieno[2,3,f]isobenzofuran-5(7h),2'-[2h]pyran]-3',4',5'-triol；(3'R,4'S,5S,5'S,6'R)-3-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[7H-thieno[3,2-f][2]benzofuran-5,2'-oxane]-3',4',5'-triol
• CAS: 1004779-80-9
• 化学式: C₂₄H₂₆O₆S
• 分子量: 442.533
• InChiKey: PXHVJOPBINFCDC-ZXGKGEBGSA-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：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (3'R,4'S,5S,5'R,6'R)-3',4',5'-tris-benzyloxy-6'-benzyloxymethyl-3-[(4-ethylphenyl)methyl]-3',4',5',5'-tetrahydro-spiro[thieno[2,3-f]isobenzofuran-5(7H),2'-[2H]pyran] 在 五甲基苯 、 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以70%的产率得到(3'R,4'S,5S,5'R,6'R)-3-[(4-ethylphenyl)methyl]-6'-hydroxymethyl-3',4',5',6'-tetrahydrospiro[thieno[2,3-f]isobenzofuran-5(7H),2'-[2H]pyran]-3',4',5'-triol
  参考文献：
  名称：

  EP2048152

  摘要：

  公开号：

文献信息

• FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG
  申请人：Sato Tsutomu

  公开号：US20100234609A1

  公开（公告）日：2010-09-16

  Provided are a compound represented by Formula (I): wherein R 1 , R 2 , R 3 , and R 4 are each independently selected from a hydrogen atom, a C 1-6 alkyl group which may be substituted, a C 7-14 aralkyl group which may be substituted and —C(═O)Rx; n denotes an integer selected from 1 and 2; and ring Ar is selected from the groups represented by the following Formula (a) to (f). or a prodrug thereof or a pharmaceutically acceptable salt thereof as well as a pharmaceutical agent and a pharmaceutical composition containing such a compound or a prodrug thereof, or a pharmaceutically acceptable salt thereof.

  提供的是一个由式(I)表示的化合物：其中R1、R2、R3和R4分别独立地选择自氢原子、可能被取代的C1-6烷基、可能被取代的C7-14芳基烷基和—C(═O)Rx；n表示选择自1和2的整数；环Ar选择自以下式(a)到(f)所表示的基团。或其前药或其药学上可接受的盐，以及含有此化合物或其前药或其药学上可接受的盐的药物剂和药物组合物。
• Fused ring spiroketal derivative and use thereof as anti-diabetic drug
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US08207134B2

  公开（公告）日：2012-06-26

  Provided are a compound represented by Formula (I): wherein R1, R2, R3, and R4 are each independently selected from a hydrogen atom, a C1-6 alkyl group which may be substituted, a C7-14 aralkyl group which may be substituted and —C(═O)Rx; n denotes an integer selected from 1 and 2; and ring Ar is selected from the groups represented by the following Formula (a) to (f). or a prodrug thereof or a pharmaceutically acceptable salt thereof as well as a pharmaceutical agent and a pharmaceutical composition containing such a compound or a prodrug thereof, or a pharmaceutically acceptable salt thereof.

  提供的是一种由公式（I）表示的化合物：其中R1、R2、R3和R4各自独立地选择氢原子、C1-6烷基基团（可能被取代）、C7-14芳基烷基基团（可能被取代）和—C（═O）Rx；n表示选自1和2的整数；环Ar选自以下公式（a）到（f）所表示的基团。或其前药或其药学上可接受的盐以及含有该化合物或其前药或其药学上可接受的盐的药物剂和药物组合物。
• FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP2048152A1

  公开（公告）日：2009-04-15

  Provided are a compound represented by Formula (I): wherein R1, R2, R3, and R4 are each independently selected from a hydrogen atom, a C1-6 alkyl group which may be substituted, a C7-14 aralkyl group which may be substituted and -C(=O)Rx; n denotes an integer selected from 1 and 2; and ring Ar is selected from the groups represented by the following Formula (a) to (f). , or a prodrug thereof or a pharmaceutically acceptable salt thereof as well as a pharmaceutical agent and a pharmaceutical composition containing such a compound or a prodrug thereof, or a pharmaceutically acceptable salt thereof.

  提供了一种由式 (I) 表示的化合物： 其中 R1、R2、R3 和 R4 各自独立地选自氢原子、可被取代的 C1-6 烷基、可被取代的 C7-14 芳烷基和 -C(＝O)Rx；n 表示选自 1 和 2 的整数；环 Ar 选自下式 (a) 至 (f) 所代表的基团。 上述化合物或其原药或其药学上可接受的盐，以及药剂和含有上述化合物或其原药或其药学上可接受的盐的药物组合物。
• US8207134B2
  申请人：——

  公开号：US8207134B2

  公开（公告）日：2012-06-26
• EP2048152
  申请人：——

  公开号：——

  公开（公告）日：——