CAS: 945755-56-6; (S)-N-(4-(2-((4-Morpholinophenyl)Amino)Pyrimidin-4-yl)Phenyl)Pyrrolidine-2-Carboxamide

• 英文名称(S)-N-(4-(2-((4-Morpholinophenyl)Amino)Pyrimidin-4-yl)Phenyl)Pyrrolidine-2-Carboxamide
• 中文名称(2S)-N-[4-[2-[[4-(4-吗啉基)苯基]氨基]-4-嘧啶基]苯基]-2-吡咯烷甲酰胺
• IUPAC名称(S)-N-(4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)phenyl)pyrrolidine-2-carboxamide
• CAS编号945755-56-6
• MFCD编号:MFCD24386874
• EINECS号:111-689-3
• FDA UNII编号:4L1AM42NVA
• 分子式:C25H28N6O2
• 分子量:444.53
• 产品CID: 1997338
• 产品分类生物化工 → 抑制剂 → 酪氨酸蛋白激酶/信号转导子和转录活化子抑制剂(JAK/STAT)

• 相似结构搜索
• InChIKey: ISOCDPQFIXDIMS-QHCPKHFHSA-N
• 1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,…
• 计算化学: 氢键受体数7.0氢键供体数3.0可旋转键数6.0

物理性质

• 密度1.290±0.06 g/cm3 (20 ºC 760 Torr),
• PSA:91.41
• LogP:3.9541
• 溶解性Insoluble In Etoh; Insoluble In H2O; ≥11.125 mg/mL In DMSO
• 外观形态绿色至黄色固体
• 储存条件储存在 -20°C
• 产品应用该化合物用于治疗有关疾病.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别特定目标器官毒性-重复接触 类别1
• 警示词Danger(危险)
• 危险描述H372 |长期或反复接触损害器官.
• 防范说明P260-P264-P270-P314-P501

欧盟法规

合成工艺路线路线简述

• 15761-39-4 + 945756-47-8 = 945755-56-6
  反应条件:1.1 Reagents: Diisopropylethylamine,O-(7-Azabenzotriazol-1-Yl)-N,N,N′,N′-Tetramethyluronium Hexafluorophosphate Solvents: Dimethylacetamide; 12 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Methanol,1,4-Dioxane; 1 H,70 °C
  标题:4-Aryl-2-Aminopyrimidines Or 4-Aryl-2-Aminoalkylpyrimidines As Jak-2 Modulators And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases
  参考文献:World Intellectual Property Organization]
  
  = 945755-56-6 [标题:Reaction Conditions
  标题:Pyrimidine Derivatives As Jak-2 Inhibitors In Combination With Other Agents And Their Preparation And Use In The Treatment Of Diseases
  参考文献:World Intellectual Property Organization]
  
  = 945755-56-6 [标题:Reaction Conditions
  标题:Preparation Of N-Acylazetidine Mek Inhibitors And 4-Aryl-2-Aminopyrimidine Or 4-Aryl-2-Aminoalkylpyrimidine Jak-2 Inhibitors And Their Combinations Useful For Treating Neoplasm
  参考文献:World Intellectual Property Organization

海关参考信息

• 2909110000-乙醚
  2912110000-甲醛
  2912120000-乙醛
  2921211000-乙二胺
• 💡 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