CAS: 1245157-85-0; 2-(4-(6-((5-((2-Chloro-6-Methylphenyl)Carbamoyl)Thiazol-2-yl)Amino)-2-Methylpyrimidin-4-yl)Piperazin-1-yl)Ethyl Acetate

英文名称2-(4-(6-((5-((2-Chloro-6-Methylphenyl)Carbamoyl)Thiazol-2-yl)Amino)-2-Methylpyrimidin-4-yl)Piperazin-1-yl)Ethyl Acetate
中文名称达沙替尼杂质K
IUPAC名称2-(4-(6-((5-((2-chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethyl acetate
其它别名2-(4-(6-((5-((2-Chloro-6-Methylphenyl)Carbamoyl)Thiazol-2-yl)Amino)-2-Methylpyrimidin-4-yl)Piperazin-1-yl)Ethyl Acetate; 2-(4-(6-((5-((2-Chloro-6-Methylphenyl)Carbamoyl)Thiazol-2-yl)-Amino)-2-Methylpyrimidin-4-yl)Pi; 5-Thiazolecarboxamide, 2-[[6-[4-[2-(Acetyloxy)Ethyl]-1-Piperazinyl]-2-Methyl-4-Pyrimidinyl]Amino]-N-(2-Chloro-6-Methylphenyl)-; Dasatinib Impurity K; Dashatinib Impurity 43
CAS编号1245157-85-0
MFCD编号:MFCD26404034
EINECS号:862-881-5
FDA UNII编号:7RHU9TS4MT
分子式:C24H28ClN7O3S分子量:530.05
产品CID: 354030
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: DUDJNQNGJZMKQN-UHFFFAOYSA-N
InChI=1S/C24H28ClN7O3S/c1-15-5-4-6-18(25)22(15)30-23(34)19-14-26-24(36-19)29-20-13-21(28-16(2)27-20)32-9-7-31(8-10-32)11-12-35-17(3)33/h4-6,13-14H,7-12H2,1-3H3,(H,30,34)(
计算化学: 氢键受体数10.0氢键供体数2.0可旋转键数9.0

物理性质

密度1.375±0.06 g/cm3(预测)
pKa:10.94±0.70(预测)
PSA:140.82
LogP:4.0332
产品应用该化合物用于蛋白激素丁基菌酶抑制剂的DASATINIB-氨基酸和DASATTINIB脂肪酸共聚物时,可以有用.

MSDS等安全信息

GHS符号GHS07
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2A
警示词Warning
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P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

欧盟法规

C&L通报

上下游产品

1-(2-hydroxyethyl)piperazine 2,4-dichloro-2-methylpyrimidine 2-[[6-[4-(2-acetoxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxylic acid 2-chloro-6-methylaniline dasatanib

合成工艺路线路线简述

📜2-(6-(4-(2-Acetoxyethyl)Piperazin-1-yl)-2-Methylpyrimidin-4-Ylamino)Thiazole-5-Formic Acid置于草酰氯,N,N-二异丙基乙胺,N,N-二甲基甲酰胺体系中,用二氯甲烷用作溶剂,化学反应 5.0H,反应生成达沙替尼杂质k
参考文献:Synthesis Process Of Dasatinib And Intermediate Thereof
标题:Synthesis Process Of Dasatinib And Intermediate Thereof
摘要:公开了达沙替尼的合成过程,其中包括将式i的化合物与式ii的化合物反应,以获得式iii的化合物.还公开了式iii的化合物,该化合物用作合成达沙替尼的中间体.式i,Ii或iii中的r1,R2,R3或r4的取代基如描述所定义.