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西仑吉肽
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
化合物简介
Cilengitide (EMD 121974) is a molecule designed and synthesized at the Technical University Munich in collaboration with Merck KGaA in Darmstadt. It is based on the cyclic peptide cyclo(-RGDfV-), which is selective for αv integrins, which are important in angiogenesis (forming new blood vessels), and other aspects of tumor biology. Hence, it is under investigation for the treatment of glioblastoma, where it may act by inhibiting angiogenesis, and influencing tumor invasion and proliferation.
基本信息
CAS:188968-51-6
中文别名:环(L-精氨酰甘氨酰-L-天冬氨酰-D-苯丙氨酰-N-甲基-L-缬氨酰);倍他司汀二盐酸盐;Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl);
英文别名:cyclo(arginyl-glycyl-aspartyl-D-phenylalanyl-N-methyl-valyl);cyclo(L-arginylglycyl-L-a-aspartyl-D-phenylalanyl-N-methyl-L-valyl);cyclo[-Arg-Gly-Asp-D-Phe-N-MeVal-];Cilengitide;Cilengitide [USAN:INN];cyclo(RGDf-N(Me)V-);
分子式:C27H40N8O7
分子量:588.656
精确质量:588.302
Psa:235.91
Logp:0.4783
中文别名:环(L-精氨酰甘氨酰-L-天冬氨酰-D-苯丙氨酰-N-甲基-L-缬氨酰);倍他司汀二盐酸盐;Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl);
英文别名:cyclo(arginyl-glycyl-aspartyl-D-phenylalanyl-N-methyl-valyl);cyclo(L-arginylglycyl-L-a-aspartyl-D-phenylalanyl-N-methyl-L-valyl);cyclo[-Arg-Gly-Asp-D-Phe-N-MeVal-];Cilengitide;Cilengitide [USAN:INN];cyclo(RGDf-N(Me)V-);
分子式:C27H40N8O7
分子量:588.656
精确质量:588.302
Psa:235.91
Logp:0.4783
编号系统
MDL号:MFCD04307743
物化性质
密度:1.41g/cm3
折射率:1.643
折射率:1.643
安全信息
生产方法及用途
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict
