4-[2-(2,5-dimethylbenzyloxy)benzyl]-5-isopropyl-1,2-dihydropyrazol-3-one | 478190-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[2-(2,5-dimethylbenzyloxy)benzyl]-5-isopropyl-1,2-dihydropyrazol-3-one
• 英文别名: 4-[[2-[(2,5-dimethylphenyl)methoxy]phenyl]methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one
• CAS: 478190-60-2
• 化学式: C₂₂H₂₆N₂O₂
• 分子量: 350.461
• InChiKey: ZTBIMHJOSYDWAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[2-(2,5-dimethylbenzyloxy)benzyl]-5-isopropyl-1,2-dihydropyrazol-3-one 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 0.25h， 生成 4-[2-(2,5-dimethylbenzyloxy)benzyl]-5-isopropyl-3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)-1H-pyrazole
  参考文献：
  名称：

  EP1400529

  摘要：

  公开号：

文献信息

• Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor
  申请人：——

  公开号：US20040176308A1

  公开（公告）日：2004-09-09

  The present invention provides glucopyranosyloxypyrazole derivatives represented by the general formula: 1 wherein R 1 is a hydrogen atom or a hydroxyalkyl group; one of Q and T is a group represented by the general formula; 2 the other is an optionally substituted alkyl group or a cycloalkyl group; and R 2 is a halogen atom, a hydroxy group, an optionally substituted alkyl group, an optionally substituted alkoxy group, an alkylthio group, a group of the general formula: -A-R 3 wherein A is a single bond, an oxygen atom, a methylene group, an ethylene group, —OCH 2 — or —CH 2 O—; and R 3 is a cycloalkyl group, a heterocycloalkyl group, an optionally substituted aryl group, an optionally substituted tiazolyl group or an optionally substituted pyridyl group, pharmaceutically acceptable salts thereof or prodrugs thereof, which exert an excellent inhibitory activity in human SGLT 1 , and therefore are useful as drugs for the prevention or treatment of a disease associated with hyperglycemia such as diabetes, diabetic complications or obesity, pharmaceutical compositions comprising the same, pharmaceutical uses thereof and production intermediates thereof.

  本发明提供了由通式1表示的葡萄糖吡唑衍生物，其中R1是氢原子或羟基烷基；Q和T中的一个是由通式2表示的基团，另一个是可选取代的烷基或环烷基；R2是卤素原子、羟基、可选取代的烷基、可选取代的烷氧基、烷硫基、通式-A-R3中的基团，其中A是单键、氧原子、亚甲基、乙烯基、—OCH2—或—CH2O—，而R3是环烷基、杂环烷基、可选取代的芳基、可选取代的噻唑基或可选取代的吡啶基，其药物学上可接受的盐或前药，在人类SGLT1中具有优异的抑制活性，因此可用作预防或治疗与高血糖相关的疾病，如糖尿病、糖尿病并发症或肥胖症的药物，以及包含其的制药组合物、制药用途和生产中间体。
• GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1400529A1

  公开（公告）日：2004-03-24

  The present invention provides glucopyranosyloxypyrazole derivatives represented by the general formula: wherein R1 is a hydrogen atom or a hydroxyalkyl group; one of Q and T is a group represented by the general formula; the other is an optionally substituted alkyl group or a cycloalkyl group; and R2 is a halogen atom, a hydroxy group, an optionally substituted alkyl group, an optionally substituted alkoxy group, an alkylthio group, a group of the general formula: -A-R3 wherein A is a single bond, an oxygen atom, a methylene group, an ethylene group, -OCH2- or -CH2O-; and R3 is a cycloalkyl group, a heterocycloalkyl group, an optionally substituted aryl group, an optionally substituted tiazolyl group or an optionally substituted pyridyl group, pharmaceutically acceptable salts thereof or prodrugs thereof, which exert an excellent inhibitory activity in human SGLT1, and therefore are useful as drugs for the prevention or treatment of a disease associated with hyperglycemia such as diabetes, diabetic complications or obesity, pharmaceutical compositions comprising the same, pharmaceutical uses thereof and production intermediates thereof.

  本发明提供由通式表示的葡萄糖吡喃氧基吡唑衍生物： 其中 R1 是氢原子或羟烷基；Q 和 T 中的一个是通式表示的基团，另一个是任选取代的烷基或环烷基；以及 R2 是卤原子； R2是卤原子、羟基、任选取代的烷基、任选取代的烷氧基、烷硫基、通式如下的基团：-其中 A 是单键、氧原子、亚甲基、亚乙基、-OCH2- 或 -CH2O-；以及 R3 是环烷基、杂环烷基、任选取代的芳基、任选取代的噻唑基或任选取代的吡啶基、其药学上可接受的盐或其原药，它们对人类 SGLT1 具有极佳的抑制活性，因此可用作预防或治疗与高血糖有关的疾病（如糖尿病、糖尿病并发症或肥胖症）的药物、包含这些药物的药物组合物、其药物用途以及其生产中间体。
• US7217697B2
  申请人：——

  公开号：US7217697B2

  公开（公告）日：2007-05-15