CAS: 937270-47-8; 6-Methyl-12-Oxa-3,6-Diaza-2(4,2)-Pyrimidina-1,4(1,3)-Dibenzenacyclododecaphan-8-Ene

• 英文名称6-Methyl-12-Oxa-3,6-Diaza-2(4,2)-Pyrimidina-1,4(1,3)-Dibenzenacyclododecaphan-8-Ene
• 中文名称14-甲基-20-氧杂-5,7,14,27-四氮杂四环[19.3.1.1(2,6).1(8,12)]二十七碳-1(25),2,4,6(27),8,10,12(26),16,21,23-十烯
• IUPAC名称6-methyl-12-oxa-3,6-diaza-2(4,2)-pyrimidina-1,4(1,3)-dibenzenacyclododecaphan-8-ene
• 其它别名20-Oxa-5,7,14,27-Tetraazatetracyclo[19.3.1.12,6.18,12]Heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-Decaene, 14-Methyl-; Tg02; (E)-6-Methyl-12-Oxa-3,6-Diaza-2(4,2)-Pyrimidina-1,4(
• CAS编号937270-47-8
• MFCD编号:MFCD22124499
• 分子式:C23H24N4O分子量:372.47
• 产品CID: 1977326
• 同类组份化合物CAS1354567-82-0 (HCl)1204918-73-9 (citrate)1204918-72-8 (free base)937270-47-8 (free base)
• 产品分类JAK/STAT Signaling → JAK | JAK/STAT Signaling → FLT3 | Inhibitors/Agonists → Cell Cycle → CDK

• 相似结构搜索
• InChIKey: VXBAJLGYBMTJCY-IHWYPQMZSA-N
• InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数*

物理性质

• 沸点577.1±60.0 °C at 760 mmHg
• 闪点302.8±32.9 °C
• 密度1.1±0.1 g/cm3
• pKa:8.03±0.20(预测)
• PSA:50.28
• LogP:4.76
• 折射率1.577
• 蒸汽压0.0±1.6 mmHg at 25°C
• 溶解性Insoluble In H2O; ≥44.87 mg/mL In DMSO; ≥3.98 mg/mL In Etoh With Gentle Warming And Ultrasonic
• 外观形态类白色至淡黄色固体
• 储存条件储存在 -20°C
• 产品应用该化合物是CDK2,JAK2和FLT3的强力小分子抑制剂;它表现出一种高度新颖的动脉抑制特征,抑制了所测试的63个动脉酶中的17个,包括CDK/JAKO/FLT家族的11名成员;它也抑制了与炎症和发芽过程相关的其他动脉,如LCK,FYN,FMS,TYRO3,ERK5和P38;SB1377显著抑制了肿瘤在体内生长(例如,82%的肿瘤抑制[TGI],剂量为75毫克/千克 P.O.D., 3X/周);它显示了HCT-116(IC50=0.079 微克M)和HL-60(IC 50=0.059 微克 M)细胞管;S B1317的口服和腹膜内控制导致显著的肿瘤生长抑制,平均TGIS分别为42%和63%.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302
• 防范说明P280-P305+P351+P338

合成工艺路线路线简述

• 937271-61-9 = 937270-47-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Catalysts: Grubbs Second Generation Catalyst
  标题:Preparation Of Solid State Forms Of Macrocyclic Kinase Inhibitors For Treatment Of Cancers
  参考文献:World Intellectual Property Organization]
  
  937271-61-9 = 937270-47-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Catalysts: Grubbs Second Generation Catalyst Solvents: Dichloromethane; Rt; Overnight,50 °C
  标题:Preparation Of Heteroalkyl Linked Pyrimidine Macrocycle Derivatives As Antiproliferative Agents
  参考文献:World Intellectual Property Organization]
  
  = 937270-47-8 [标题:Reaction Conditions
  标题:Preparation Of The Prodrug Compound And Their Medical Applications
  参考文献:World Intellectual Property Organization]
  
  = 937270-47-8 [标题:Reaction Conditions
  标题:A Process For Obtaining Purified Unsaturated Macrocyclic Compounds
  参考文献:World Intellectual Property Organization

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
• 💡 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