CAS: 940310-85-0; 4-Methyl-3-((1-Methyl-6-(Pyridin-3-yl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-yl)Amino)-N-(3-(Trifluoromethyl)Phenyl)Benzamide

• 英文名称4-Methyl-3-((1-Methyl-6-(Pyridin-3-yl)-1H-Pyrazolo[3,4-D]Pyrimidin-4-yl)Amino)-N-(3-(Trifluoromethyl)Phenyl)Benzamide
• 中文名称NVP-BHG 712; 4-甲基-3-[[1-甲基-6-(3-吡啶基)-1H-吡唑并[3,4-d]嘧啶-4-基]氨基]-N-[3-(三氟甲基)苯基]苯甲酰胺
• IUPAC名称4-methyl-3-((1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide
• 其它别名4-Methyl-3-(1-Methyl-6-Pyridin-3-Yl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Ylamino)-N-(3-Trifluoromethyl-Phenyl)-Benzamide; Benzamide, 4-Methyl-3-((1-Methyl-6-(3-Pyridinyl)-1H-Pyrazolo(3,4-D)Pyrimidin-4-yl)Amino)-N-(3-(Trifluoromethyl)Phenyl)-; Bcp
• CAS编号940310-85-0
• MFCD编号:MFCD20272929
• EINECS号:804-395-8
• FDA UNII编号:N86NEM4R7Q
• 分子式:C26H20F3N7O
• 分子量:503.49
• 产品CID: 1985936
• 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: ZCCPLJOKGAACRT-UHFFFAOYSA-N
• InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)32-19-7-3-6-18(12-19)26(27,28)29)11-21(15)33-23-20-14-31-36(2)24(20)35-22(34-23)17-5-4-10-30-13-17/h…
• 计算化学: 氢键受体数9.0氢键供体数2.0可旋转键数5.0

物理性质

• 密度1.41
• pKa:13.20±0.70(预测)
• PSA:101.11
• LogP:6.2054
• 溶解性DMSO: >15mg/mL
• 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生物研究和治疗性地使用动脉抑制剂混合治疗直肠癌.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(经口)
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
• 防范说明P301+P310
• UN编号UN 2811 6.1 / PGIII
• 危险品标志T
• 安全声明45
• 危险类别码25
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 123-06-8 + 7339-53-9 + 23410-19-7 + 59-67-6 = 940310-85-0
  反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol; Rt1.2 Rt1.3 Reagents: Sulfuric Acid Solvents: Water; 10 - 15 °C; 1 H,10 - 15 °C1.4 Solvents: Water; Ph 8,Cooled1.5 2 H,Rt -> 180 °C1.6 Reagents: Water1.7 Reagents: Phosphorus Oxychloride; 3 H,Reflux1.8 Solvents: Tert-Butanol; 20 Min,Rt -> 150 °C
  标题:Preparation Of 3-(Substituted Amino)-Pyrazolo[3,4-D]Pyrimidines As Ephb4 Receptors And Vegfr2 Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  = 940310-85-0 [标题:Reaction Conditions
  标题:Preparation Of Heteroarylaminobenzamides As Receptor Tyrosine Kinase Inhibitors For Treatment Of Protein Kinase Modulation-Responsive Disease Or Disorder
  参考文献:United States]
  
  940516-19-8 + 91092-05-6 = 940310-85-0
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Tris(Dibenzylideneacetone)Dipalladium,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: 1,4-Dioxane; 4 H,Rt -> 120 °C
  标题:Nvp-Bhg712: Effects Of Regioisomers On The Affinity And Selectivity Toward The Ephrin Family
  作者:Troester,Alix; Heinzlmeir,Stephanie; Berger,Benedict-Tilman; Gande,Santosh L.; Saxena,Krishna; Et Al
  参考文献:Chemmedchem 日期:2018 卷标:13(16) 页码:1629-1633]
  
  1692-25-7 + 2271317-00-9 = 940310-85-0
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: 1,4-Dioxane,Water; 100 °C
  标题:Process For Preparation Of Substituted Penta- And Hexa-Heterocyclic Compounds,Drug Combination And Use Thereof
  参考文献:China

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2933310010-吡啶
  2903399090-其他无环烃卤化衍生物
• 💡 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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管