(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-methoxybenzyl)phenyl]-1-hydroxymethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol | 1210344-55-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-methoxybenzyl)phenyl]-1-hydroxymethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
• 英文别名: (1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-methoxybenzyl)phenyl]-1-(hydroxymethyl)-6,8-dioxa-bicyclo[3.2.1]octane-2,3,4-triol；(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
• CAS: 1210344-55-0
• 化学式: C₂₁H₂₃ClO₇
• 分子量: 422.862
• InChiKey: RJTVHYMNUOKZQZ-WHZJULEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  {(2S,3S)-2,3,4-tris-benzyloxy-5-[4-chloro-3-(4-methoxybenzyl)phenyl]-6,8-dioxabicyclo[3.2.1]oct-1-yl}methanol 在 钯 甲酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 以36%的产率得到(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-methoxybenzyl)phenyl]-1-hydroxymethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
  参考文献：
  名称：

  [EN] DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES
  [FR] DÉRIVÉS DE DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL

  摘要：

  本文描述了化合物(I)的结构式及其用途，用于治疗由钠葡萄糖转运体抑制剂（特别是SGLT2抑制剂）介导的疾病、状况和/或紊乱。本文披露的化合物对于预防和治疗肥胖及其相关的共病症特别是II型（2型）糖尿病具有用处。

  公开号：

  WO2010023594A1

文献信息

• DIOXA-BICYCLO[3.2.1]OCTANE-2,3,4-TRIOL DERIVATIVES
  申请人：Mascitti Vincent

  公开号：US20100056618A1

  公开（公告）日：2010-03-04

  Compounds of Formula (I) are described herein and the uses thereof for the treatment of diseases, conditions and/or disorders mediated by sodium-glucose transporter inhibitors (in particular, SGLT2 inhibitors).

  本文介绍了化学式(I)的化合物以及它们用于治疗由钠-葡萄糖转运抑制剂（特别是SGLT2抑制剂）介导的疾病、病状和/或疾患的用途。
• METHODS OF TREATING OR REDUCING THE RISK OF CARDIOVASCULAR EVENTS AND RELATED DISEASES USING SGLT-2 INHIBITORS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：EP3735975A1

  公开（公告）日：2020-11-11

  The present invention relates to the use of certain SGLT-2 inhibitors, such as ertugliflozin or a pharmaceutically acceptable salt or a co-crystal thereof, for treating, reducing the risk of and/or preventing heart failure, myocardial infarction, cardiovascular disease or cardiovascular death in animals without type 2 or type 1 diabetes mellitus, or in animals with pre-diabetes, or in animals with type 2 or type 1 diabetes mellitus or pre-diabetes.

  本发明涉及某些SGLT-2抑制剂的用途，如ertugliflozin或其药学上可接受的盐或共晶体，用于治疗、降低和/或预防无2型或1型糖尿病动物、或糖尿病前期动物、或2型或1型糖尿病动物或糖尿病前期动物的心力衰竭、心肌梗塞、心血管疾病或心血管死亡的风险。
• SGLT-2 inhibitors for treating metabolic disorders in patients with renal impairment or chronic kidney disease
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10285973B2

  公开（公告）日：2019-05-14

  The present invention relates to certain SGLT-2 inhibitors, such as ertugliflozin or a co-crystal or a pharmaceutically acceptable salt thereof, for treating and/or preventing metabolic disorders, such as type 1 or type 2 diabetes mellitus or pre-diabetes, in patients with renal impairment or chronic kidney disease (CKD). The present invention also relates to methods for preventing neuronal damage following the incidence of ischemic stroke and close-head traumatic brain injury in animals comprising the step of administering to an animal, in need of such treatment, a therapeutically effective amount of ertugliflozin or a co-crystal or a pharmaceutically acceptable salt thereof.

  本发明涉及某些SGLT-2抑制剂，如ertugliflozin或其共晶体或药学上可接受的盐，用于治疗和/或预防肾功能损害或慢性肾病（CKD）患者的代谢紊乱，如1型或2型糖尿病或糖尿病前期。本发明还涉及预防动物缺血性中风和近头脑外伤发生后神经元损伤的方法，包括向需要此类治疗的动物施用治疗有效量的ertugliflozin或其共晶体或药学上可接受的盐的步骤。
• DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES
  申请人：Pfizer Inc.

  公开号：EP2334687A1

  公开（公告）日：2011-06-22
• JP2012500842A
  申请人：——

  公开号：JP2012500842A

  公开（公告）日：2012-01-12