CAS: 943540-75-8; 6-(Difluoro(6-(1-Methyl-1H-Pyrazol-4-yl)-[1,2,4]Triazolo[4,3-B]Pyridazin-3-yl)Methyl)Quinoline

• 英文名称6-(Difluoro(6-(1-Methyl-1H-Pyrazol-4-yl)-[1,2,4]Triazolo[4,3-B]Pyridazin-3-yl)Methyl)Quinoline
• 中文名称6-[二氟[6-(1-甲基-1H-吡唑-4-基)-1,2,4-三唑并[4,3-b]哒嗪-3-基]甲基]喹啉
• IUPAC名称6-(difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline
• 其它别名J&j Ex-61; Quinoline, 6-[difluoro[6-(1-Methyl-1H-Pyrazol-4-yl)-1,2,4-Triazolo[4,3-B]Pyridazin-3-Yl]Methyl]-; 6-[difluoro[6-(1-Methyl-1H-Pyrazol-4-yl)-1,2,4-Triazolo[4,3-B]Pyridazin-3-Yl]Methyl]Quinoline; 6-(Difluoro(6-(1-Methyl-1H-Pyrazol-4-yl)-[1,2,4]-Triazolo[4,3-B]Pyridazin-3-yl)Methyl)Quinolin
• CAS编号943540-75-8
• MFCD编号:MFCD11977274
• FDA UNII编号:15UDG410PN
• 分子式:C19H13F2N7分子量:377.36
• 产品CID: 1993740
• 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: JRWCBEOAFGHNNU-UHFFFAOYSA-N
• InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3
• 计算化学: 氢键受体数7.0氢键供体数*可旋转键数3.0

物理性质

• 密度1.5±0.1 g/cm3
• pKa:3.92±0.10(预测)
• PSA:73.79
• LogP:3.13
• 折射率1.734
• 溶解性Insoluble In H2O; ≥18.85 mg/mL In DMSO; ≥3.25 mg/mL In Etoh With Ultrasonic
• 外观形态类白色至淡黄色粉末
• 储存条件储存在 -20°C
• 产品应用该化合物是ATP竞争型C-MET抑制器,IC50为4 NM,显示对200多其他强氮和西里昂-硫素类酶C-梅特有600倍的选择性;有效抑制HGF刺激和构成活性C-甲基磷酸化;减少EBC1,GTL16,NCI-H1993和MKN45的500 NM的热电离子体和RON磷化,从而抑制入侵性增长;调节GT16细胞的IL-8,GROAL,UPAR和IL-6的分泌;口服时显著降低GT L16 含蛋白质小鼠的血浆水平(72小时,40毫克/千克/千克).

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H319-H317
• 防范说明P261-P264-P272-P280-P302+P352-P305+P351+P338-P333+P313-P321-P337+P313-P363-P501
• 危险品标志N

上下游产品

合成工艺路线路线简述

• 943541-20-6 + 943541-39-7 = 943540-75-8
  反应条件:1.1 Solvents: 1-Methoxy-2-Propanol; 18 H,110 °C
  标题:Evaluation Of Deuterium-Labeled Jnj38877605: Pharmacokinetic,Metabolic,And In Vivo Antitumor Profiles
  作者:Zhan,Zhengsheng; Peng,Xia; Sun,Yiming; Ai,Jing; Duan,Wenhu
  参考文献:Chemical Research In Toxicology 日期:2018 卷标:31(11) 页码:1213-1218]
  
  943541-20-6 + 943541-39-7 = 943540-75-8
  反应条件:1.1 Reagents: Methanesulfonic Acid Solvents: 1-Methoxy-2-Propanol; 8 H,80 °C; 80 °C -> Rt1.2 Reagents: Ammonia Solvents: Ethanol,Water; 80 °C
  标题:Preparation Of Polymorphic And Hydrate Forms,Salts Of 6-[difluoro[6-(1-Methyl-1H-Pyrazol-4-Yl)[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl]Methyl]Quinoline For Treatment Of Cell Proliferative Disorder
  参考文献:World Intellectual Property Organization]
  
  943541-20-6 + 943541-39-7 = 943540-75-8
  反应条件:1.1 Solvents: 1-Butanol; Overnight,Rt -> 130 °C; 130 °C -> Rt
  标题:Preparation Of Triazolopyridazines As Tyrosine Kinase Modulators
  参考文献:World Intellectual Property Organization]
  
  = 943540-75-8 [标题:Reaction Conditions
  标题:Preparation Of Polymorphic And Hydrate Forms,Salts Of 6-[difluoro[6-(1-Methyl-1H-Pyrazol-4-Yl)[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl]Methyl]Quinoline For Treatment Of Cell Proliferative Disorder
  参考文献:United States]
  
  = 943540-75-8 [标题:Reaction Conditions
  标题:Pyridinylindazole Compounds As C-Met Inhibitors And Their Preparation And For The Treatment Of The Endometriosis
  参考文献:Germany

海关参考信息

• 2902300000-甲苯
  2933310010-吡啶
  2939800000-其他生物碱
• 💡 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

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