CAS: 870483-87-7; 5-(3-Methoxy-4-((4-Methoxybenzyl)Oxy)Benzyl)Pyrimidine-2,4-Diamine

• 英文名称5-(3-Methoxy-4-((4-Methoxybenzyl)Oxy)Benzyl)Pyrimidine-2,4-Diamine
• 中文名称5-[3-甲氧基-4-(4-甲氧基苄氧基)苄基]嘧啶-2,4-二胺
• IUPAC名称5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine
• 其它别名5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine
• CAS编号870483-87-7
• MFCD编号:MFCD12024701
• EINECS号:809-788-8
• FDA UNII编号:SRV0JCF9LI
• 分子式:C20H22N4O3
• 分子量:366.42
• 产品CID: 1874992
• 产品分类生物化工 → 抑制剂 → 蛋白酪氨酸激酶

• 相似结构搜索
• InChIKey: MYQAUKPBNJWPIE-UHFFFAOYSA-N
• InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,…
• 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数7.0

物理性质

• 沸点617.5±65.0 °C at 760 mmHg
• 闪点327.2±34.3 °C
• 密度1.3±0.1 g/cm3
• pKa:7.11±0.10(预测)
• PSA:105.51
• LogP:2.66
• 折射率1.635
• 蒸汽压0.0±1.8 mmHg at 25°C
• 溶解性DMSO: Soluble10mg/mL, Clear (Warmed)
• 外观形态白色至米色粉末
• 储存条件-20°C
• 产品应用该化合物用于研究其对从伸缩的心肺细胞中发出麻痹的石蜡信号对心脏纤维纤维破碎的苯型的影响.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P305+P351+P338
• UN编号NONH for all modes of transport
• 危险品标志Xn,Xi
• 安全声明26-36/37/39
• 危险类别码22-36/37/38
• WGK Germany3

欧盟法规

合成工艺路线路线简述

• 824-94-2 + 121-33-5 = 870483-87-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; Rt; 3 H,70 °C2.1 Solvents: Dimethyl Sulfoxide; 65 °C; 65 °C -> 40 °C2.2 Reagents: Sodium Methoxide Solvents: Methanol; 15 - 25 Min,75 °C3.1 Solvents: Isopropanol; 20 Min,Reflux4.1 Reagents: Sodium Ethoxide Solvents: Ethanol; 12 H,Reflux; Reflux -> 5 °C4.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:5-(4-((4-[18F]Fluorobenzyl)Oxy)-3-Methoxybenzyl)Pyrimidine-2,4-Diamine: A Selective Dual Inhibitor For Potential Pet Imaging Of Trk/csf-1R
  作者:Bernard-Gauthier,Vadim; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(20) 页码:4784-4790]
  
  50-01-1 + 1227960-77-1 = 870483-87-7
  反应条件:1.1 Reagents: Sodium Ethoxide Solvents: Ethanol; 12 H,Reflux; Reflux -> 5 °C1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:5-(4-((4-[18F]Fluorobenzyl)Oxy)-3-Methoxybenzyl)Pyrimidine-2,4-Diamine: A Selective Dual Inhibitor For Potential Pet Imaging Of Trk/csf-1R
  作者:Bernard-Gauthier,Vadim; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(20) 页码:4784-4790]
  
  = 870483-87-7
  反应条件:1.1 Solvents: Isopropanol; 20 Min,Reflux2.1 Reagents: Sodium Ethoxide Solvents: Ethanol; 12 H,Reflux; Reflux -> 5 °C2.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:5-(4-((4-[18F]Fluorobenzyl)Oxy)-3-Methoxybenzyl)Pyrimidine-2,4-Diamine: A Selective Dual Inhibitor For Potential Pet Imaging Of Trk/csf-1R
  作者:Bernard-Gauthier,Vadim; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(20) 页码:4784-4790]
  
  4542-47-6 + 129047-38-7 = 870483-87-7
  反应条件:1.1 Solvents: Dimethyl Sulfoxide; 65 °C; 65 °C -> 40 °C1.2 Reagents: Sodium Methoxide Solvents: Methanol; 15 - 25 Min,75 °C2.1 Solvents: Isopropanol; 20 Min,Reflux3.1 Reagents: Sodium Ethoxide Solvents: Ethanol; 12 H,Reflux; Reflux -> 5 °C3.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:5-(4-((4-[18F]Fluorobenzyl)Oxy)-3-Methoxybenzyl)Pyrimidine-2,4-Diamine: A Selective Dual Inhibitor For Potential Pet Imaging Of Trk/csf-1R
  作者:Bernard-Gauthier,Vadim; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(20) 页码:4784-4790

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2906210000-苄醇
  2907210001-间苯二酚
• 💡 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

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• ➥ 危险代码说明
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