1-chloro-2-(4-methyl-benzyl)-4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzene | 946525-41-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-chloro-2-(4-methyl-benzyl)-4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzene
• 英文别名: [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-methylphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
• CAS: 946525-41-3
• 化学式: C₂₈H₃₁ClO₉
• 分子量: 547.002
• InChiKey: GSMYZVUXQOFXFG-VFHRMQJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1-chloro-4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-2-[4-(trifluoromethylsulfonyloxy)-benzyl]-benzene 、 Dimethylzinc 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 二异丁基氢化铝 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.0h， 以52%的产率得到1-chloro-2-(4-methyl-benzyl)-4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzene
  参考文献：
  名称：

  WO2007/93610

  摘要：

  公开号：

文献信息

• CRYSTAL STRUCTURES OF SGLT2 INHIBITORS AND PROCESSES FOR PREPARING SAME
  申请人：Deshpande Prashant P.

  公开号：US20080287529A1

  公开（公告）日：2008-11-20

  The present invention relates to physical crystal structures of compound of the formula (I): which is an H-1 form, H-2 form or S-PG form, pharmaceutical compositions containing structures of compound I and methods of treating diseases using compound I.

  本发明涉及化合物的物理晶体结构，其化学式为(I)：这是H-1形式、H-2形式或S-PG形式，包含化合物I结构的药物组合物以及使用化合物I治疗疾病的方法。
• Glucopyranosyl-substituted benzonitrile derivatives, pharmaceutical compositions containing such compounds, their use and process for their manufacture
  申请人：Eckhardt Matthias

  公开号：US20080058379A1

  公开（公告）日：2008-03-06

  Glucopyranosyl-substituted benzonitrile derivatives as defined herein, including the tautomers, the stereoisomers thereof, the mixtures thereof and the salts thereof. The compounds according to the invention are suitable for the treatment of metabolic disorders.

  本发明涉及一种葡萄糖吡喃基取代的苯甲腈衍生物，包括其互变异构体、立体异构体、混合物和盐。本发明所述化合物适用于治疗代谢性疾病。
• GLUCOPYRANOSYL-SUBSTITUTED BENZONITRILE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1989191B1

  公开（公告）日：2011-07-20
• Methods for Treating Obesity Employing an SGLT2 Inhibitor and Compositions Thereof
  申请人：Washburn William N.

  公开号：US20080234367A1

  公开（公告）日：2008-09-25

  Methods are provided for treating obesity or causing weight loss in a mammalian subject or patient, wherein a therapeutically effective amount of an SGLT2 inhibitor alone or optionally in combination with another anti-obesity agent, is administered to a mammalian subject or patient. In addition, a pharmaceutical composition is provided which comprises an SGLT2 inhibitor, alone or in combination with another anti-obesity agent, and a pharmaceutically acceptable carrier thereof.
• Methods for Treating Type 2 Diabetes in Patients Resistant to Previous Treatment with other Anti-Diabetic Drugs Employing an SGLT2 Inhibitor and Compositions Thereof
  申请人：Strumph Paul

  公开号：US20120071403A1

  公开（公告）日：2012-03-22

  The invention provides methods for treating a patient having type 2 diabetes who has failed on previous regimens of one or more oral and/or injectable anti-diabetic agents, which include the step of administering a therapeutically effective amount of an SGLT2 inhibitor alone or in combination with another anti-diabetic agent and/or other therapeutic agent to such patient. A pharmaceutical composition containing dapagliflozin or dapagliflozin-S-propylene glycol solvate and one or more diabetic agents and/or other therapeutic agents for use in the methods of the invention is also provided.