N_（1′）－甲基靛玉红肟的结构和性质研究

Studies on the Structure and Properties of N_′-Methyl Indirubin Monooxime

报道了Ｎ_１′－甲基靛玉红肟的合成、晶体结构及性质．体外美蓝试验结果表明，它的抗白血病活性明显优于靛玉红，其水溶性和脂溶性都较靛玉红有所增强．用Ｘ射线衍射法测得其晶体结构，组成为Ｃ_（１７）Ｈ_（１３）Ｎ_３Ｏ_２，Ｎ_ｒ＝２９１．２１，空间群Ｐ２_１／ｃ，晶体学数据：ａ＝１．５２２６（４），ｂ＝０．６５２４（３），ｃ＝１．６５６２（５）ｎｍ；β＝１０３．６９（４）°，Ｚ＝４．最终偏离因子为０．０４３．分子近似平面型．

In this paper the synthesis,crystalline structure and properties of N_1′-methyl in-dirubin monooxime(MIM)are reported.The antileukemic activity was determined by themethylene blue method in vitro and proved to be better than that of indirubin clearly. Its wa-ter-solubility and fat-solubility power are better than those of indirubin, Crystalline structure of MIM was determined by X-ray diffraction method.The crystalline composition C17H13N_3O_2,M_r=291.21.The crystal is monoclinic,space group P2_1/c, with a=1.5226(4) nm,b=0. 6524(3)nm,c=1.6562(5) nm:β=103.69(4)°,Z=4.The final deviation factor R=0.043.The molecule is approximately planar.