CAS: 872365-14-5; 2-(2-Methyl-1-(4-(Methylsulfonyl)-2-(Trifluoromethyl)Benzyl)-1H-Pyrrolo[2,3-B]Pyridin-3-yl)Acetic Acid

• 英文名称2-(2-Methyl-1-(4-(Methylsulfonyl)-2-(Trifluoromethyl)Benzyl)-1H-Pyrrolo[2,3-B]Pyridin-3-yl)Acetic Acid
• 中文名称非维匹仑
• IUPAC名称2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
• 其它别名Fevipiprant [inn]; Fevipiprant [jan]; Fevipiprant [who-Dd]; Fevipiprant; [2-Methyl-1-[4-(Methylsulfonyl)-2-(Trifluoromethyl)Benzyl]-1H-Pyrrolo[2,3-B]Pyridin-3-Yl]Acetic Acid; 2-[2-Methyl-
• CAS编号872365-14-5
• MFCD编号:MFCD28963975
• FDA UNII编号:2PEX5N7DQ4
• 分子式:C19H17F3N2O4S
• 分子量:426.42
• 产品CID: 1878430
• 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: GFPPXZDRVCSVNR-UHFFFAOYSA-N
• InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)…
• 计算化学: 氢键受体数8.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点637.6±55.0 °C(预测)
• 密度1.44±0.1 g/cm3(预测)
• pKa:3.33±0.30(预测)
• 溶解性DMF: 10 mg/mL; DMF:Pbs(Ph7.2) (1:2): 0.33 mg/mL; DMSO: 10 mg/mL; Ethanol: 1 mg/mL
• 外观形态白色至类白色结晶性固体
• 储存条件储存在 -20°C
• 产品应用该化合物用于治疗严重哮喘和皮炎.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H319-H335-H302+H312+H332-H315
• 防范说明P280-P301+P312-P362+P364

上下游产品

合成工艺路线路线简述

• 872366-74-0 = 872365-14-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 4 H,50 °C1.2 Reagents: Sulfuric Acid Solvents: Water; Ph 9 - 10
  标题:Using A Johnson-Claisen Rearrangement Strategy To Construct Azaindoles - A Streamlined And Concise Route For The Commercial Process Of Fevipiprant
  作者:Mathes,Christian; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(31) 页码:4490-4494]
  
  1638892-78-0 = 872365-14-5
  反应条件:1.1 Reagents: Potassium Carbonate,Triphenylphosphine Catalysts: Palladium Diacetate,Cuprous Iodide Solvents: Ethanol,Toluene; Rt -> 75 °C; 12 H,75 °C2.1 Catalysts: Pivalic Acid,N-Acetyl-L-Cysteine Solvents: Methyl Isobutyl Ketone; 4 H,155 °C2.2 Catalysts: Pivalic Acid Solvents: Methyl Isobutyl Ketone; 15 H,1.1 - 1.5 Bar,145 °C2.3 Reagents: Sodium Hydroxide Solvents: Water; 4 H,50 °C2.4 Reagents: Sulfuric Acid Solvents: Water; Ph 9 - 10
  标题:Using A Johnson-Claisen Rearrangement Strategy To Construct Azaindoles - A Streamlined And Concise Route For The Commercial Process Of Fevipiprant
  作者:Mathes,Christian; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(31) 页码:4490-4494]
  
  872366-74-0 = 872365-14-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Methyl 2-Methyl-7-[[4-(Methylsulfonyl)-2-(Trifluoromethyl)Phenyl]Methyl]-7H-Pyrr... Solvents: Acetone,Water; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
  标题:Discovery Of Fevipiprant (Nvp-Qaw039),A Potent And Selective Dp2 Receptor Antagonist For Treatment Of Asthma
  作者:Sandham,David A.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(5) 页码:582-586]
  
  1445-45-0 + 2092997-91-4 = 872365-14-5
  反应条件:1.1 Catalysts: Pivalic Acid,N-Acetyl-L-Cysteine Solvents: Methyl Isobutyl Ketone; 4 H,155 °C1.2 Catalysts: Pivalic Acid Solvents: Methyl Isobutyl Ketone; 15 H,1.1 - 1.5 Bar,145 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 4 H,50 °C1.4 Reagents: Sulfuric Acid Solvents: Water; Ph 9 - 10
  标题:Using A Johnson-Claisen Rearrangement Strategy To Construct Azaindoles - A Streamlined And Concise Route For The Commercial Process Of Fevipiprant
  作者:Mathes,Christian; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(31) 页码:4490-4494]
  
  13534-99-1 + 1215310-75-0 = 872365-14-5
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; 16 H,145 °C; 145 °C -> 50 °C1.2 Reagents: Sodium Borohydride Solvents: Methanol; 2 H; 4 H,Heated1.3 Reagents: Acetic Acid Solvents: Water; 10 Min,Ph 6 - 11; 1 H2.1 Reagents: Potassium Carbonate,Triphenylphosphine Catalysts: Palladium Diacetate,Cuprous Iodide Solvents: Ethanol,Toluene; Rt -> 75 °C; 12 H,75 °C3.1 Catalysts: Pivalic Acid,N-Acetyl-L-Cysteine Solvents: Methyl Isobutyl Ketone; 4 H,155 °C3.2 Catalysts: Pivalic Acid Solvents: Methyl Isobutyl Ketone; 15 H,1.1 - 1.5 Bar,145 °C3.3 Reagents: Sodium Hydroxide Solvents: Water; 4 H,50 °C3.4 Reagents: Sulfuric Acid Solvents: Water; Ph 9 - 10
  标题:Using A Johnson-Claisen Rearrangement Strategy To Construct Azaindoles - A Streamlined And Concise Route For The Commercial Process Of Fevipiprant
  作者:Mathes,Christian; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(31) 页码:4490-4494]
  
  1215323-17-3 = 872365-14-5
  反应条件:1.1 Reagents: Phosphorus Tribromide Solvents: Diethyl Ether; 10 Min,0 °C; 0 °C -> Rt; Overnight,Rt2.1 Reagents: Cesium Carbonate,Sulfuric Acid Magnesium Salt (1:1) Solvents: Acetone; 10 Min,Rt -> Reflux; Reflux -> Rt2.2 Solvents: Acetone; 10 Min,Rt; 4 H,Reflux; Overnight,Rt; 2 H,Reflux; Reflux -> Rt; 16 H,Rt -> Reflux3.1 Reagents: Sodium Hydroxide,Methyl 2-Methyl-7-[[4-(Methylsulfonyl)-2-(Trifluoromethyl)Phenyl]Methyl]-7H-Pyrr... Solvents: Acetone,Water; Overnight,Rt3.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
  标题:Discovery Of Fevipiprant (Nvp-Qaw039),A Potent And Selective Dp2 Receptor Antagonist For Treatment Of Asthma
  作者:Sandham,David A.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(5) 页码:582-586

海关参考信息

• 2902300000-甲苯
  2912110000-甲醛
  2912120000-乙醛
  2915110000-甲酸
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