CAS: 960404-48-2; (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol (S)-Propane-1,2-Diol Hydrate

• 英文名称(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol (S)-Propane-1,2-Diol Hydrate
• 中文名称丙二醇达格列嗪水合物
• IUPAC名称(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol--(S)-propane-1,2-diol (1/1) hydrate
• 其它别名Dapagliflozin Propanediol Component Of Xigduo; (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-3,4,5-Triol Compound With (S)-Propane-1,2-Diol (1:1) Hyd
• CAS编号960404-48-2
• MFCD编号:MFCD28167768
• EINECS号:811-335-4
• FDA UNII编号:887K2391VH
• 分子式:C24H35ClO9
• 分子量:502.99
• 产品CID: 2015986
• 同类组份化合物CAS960404-48-2 (propanediol monohydrate)461432-26-8 (free base)
• 产品分类生物化工 → 生化试剂 → 激动剂抑制剂

• 相似结构搜索
• InChIKey: GOADIQFWSVMMRJ-UPGAGZFNSA-N
• VY°CLVRXZCRBML-XDRSZCNYNA-N…
• 计算化学: 氢键受体数9.0氢键供体数7.0可旋转键数7.0

物理性质

• 熔点74 - 78°C
• PSA:149.07
• LogP:1.1396
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件-20°C 冷藏
• 产品应用该化合物用于治疗糖尿病.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS08;
  注释: Exclamation mark & Health hazard
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性-重复接触 类别1
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H372 |长期或反复接触损害器官.
• 防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338

欧盟法规

合成工艺路线路线简述

• 57-55-6 + 461432-26-8 = 960404-48-2 + 4254-15-3 + 461432-26-8
  反应条件:1.1 Solvents: Isopropyl Acetate,Water; 20 Min,25 - 30 °C1.2 Solvents: Cyclohexane; 25 - 30 °C; 2 H,25 - 30 °C; 30 °C -> 20 °C; 6 H,15 - 20 °C1.3 Solvents: Isopropyl Acetate; 30 °C -> 50 °C; 30 Min,25 - 30 °C; 50 °C -> 30 °C; 15 Min,25 - 30 °C1.4 Solvents: Cyclohexane; 2 H,25 - 30 °C; 30 °C -> 20 °C; 2 H,15 - 20 °C
  标题:Process For The Preparation Of (1S)-1,5-Anhydro-1-C-[4-Chloro-3-[(4-Ethoxyphenyl)Methyl]Phenyl]-D-Glucitol (Dapagliflozin) And Its Solvate Thereof
  参考文献:World Intellectual Property Organization]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Improved Process For Dapagliflozin Propanediol Monohydrate
  参考文献:India]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Dapagliflozin Hemihydrate And Crystal Form Thereof,Preparation Method,And Pharmaceutical Composition Thereof
  参考文献:China]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Process For The Preparation Of (1S)-1,5-Anhydro-1-C-[4-Chloro-3-[(4-Ethoxyphenyl)Methyl]Phenyl]-D-Glucitol (Dapagliflozin) And Its Solvate Thereof
  参考文献:India]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Bilayer Tablet Formulations Containing Metformin And Sglt2 Inhibitor
  参考文献:World Intellectual Property Organization]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Pharmaceutical Formulations Containing Dapagliflozin Propylene Glycol Hydrate
  参考文献:World Intellectual Property Organization]
  
  4254-15-3 + 461432-25-7 = 960404-48-2 + 4254-15-3 + 461432-26-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 1.5 H,Rt -> 68 °C; 1 H,68 °C -> 65 °C; 0.5 H1.2 Solvents: Isopropyl Acetate; 25 °C; 10 Min1.3 1 H
  标题:Crystalline Solvates Of Amino Acid Complexes With (1S)-1,5-Anhydro-L-C-(3-((Phenyl)Methyl)Phenyl)-D-Glucitol Were Prepared As Sglt2 Inhibitors For The Treatment Of Diabetes
  参考文献:World Intellectual Property Organization]
  
  2001088-28-2 + 4254-15-3 = 960404-48-2 + 4254-15-3 + 461432-26-8
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Sodium Iodide Solvents: Acetonitrile; 25 - 30 °C; 3 H,30 - 35 °C1.2 Reagents: Triethylamine; 4 H,25 - 30 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 31.4 Solvents: Cyclohexane,Water
  标题:Process For The Preparation Of Dapagliflozin
  参考文献:World Intellectual Property Organization]
  
  2088749-74-8 + 4254-15-3 = 960404-48-2 + 4254-15-3 + 461432-26-8
  反应条件:1.1 Reagents: Triethylsilane Catalysts: Boron Trifluoride Etherate Solvents: Acetonitrile; 0 - 25 °C; 6 - 8 H,15 - 25 °C1.2 Reagents: Water Solvents: Tert-Butyl Methyl Ether
  标题:Preparation Of Sglt-2 Inhibitors And Its Intermediates
  参考文献:China]
  
  461432-26-8 = 960404-48-2 + 4254-15-3 + 461432-26-8
  反应条件:1.1 Solvents: Water; 35 °C -> 55 °C; 30 - 40 Min,50 - 55 °C1.2 Solvents: Cyclohexane
  标题:An Improved Process For Preparation Of Dapagliflozin Propanediol Monohydrate
  参考文献:World Intellectual Property Organization]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:An Improved Process For Preparation Of Dapagliflozin Propanediol Monohydrate
  参考文献:India]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Process For The Preparation Of Dapagliflozin
  参考文献:India]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Premix Of Dapagliflozin And Process For The Preparation Thereof
  参考文献:India]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Bilayer Tablet Formulations
  参考文献:United States]
  
  = 960404-48-2 + 4254-15-3 + 461432-26-8 [标题:Reaction Conditions
  标题:Drug Formulations Using Water Soluble Antioxidants
  参考文献:United States

海关参考信息

• 2902600000-乙苯
  2903919090-氯苯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管