- 英文名称N-((3R,4S)-1-Benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine
- 中文名称托法替尼-IMZ10
- IUPAC名称N-((3R,4S)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- 其它别名N-((3R,4S)-1-Benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine; Tofatinib Impurity 22; N-((3R,4S)-1-Benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine (Tofacitinib Impurity); 7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine, N-Methyl-N-[(3R,4S)-4-Methyl-1-(Phenylmethyl)-3-Piperidinyl]-
- CAS编号1092578-45-4
- 分子式:C20H25N5分子量:335.45
- 产品CID: 128682
- 产品分类有机原料 → 有机杂环化合物 → 哌啶类
- 相似结构搜索
- InChIKey: UMWNXPTXDOVDFE-YJBOKZPZSA-N
- InChI=1S/C20H25N5/c1-15-9-11-25(12-16-6-4-3-5-7-16)13-18(15)24(2)20-17-8-10-21-19(17)22-14-23-20/h3-8,10,14-15,18H,9,11-13H2,1-2H3,(H,21,22,23)/t15-,18-/m0/s1
- 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数4.0
上下游产品
N-((3R,4S)-1-benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine 📜N-((3R,4S)-1-Benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7-Tosyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine置于水,Sodium Hydroxide体系中,化学反应 6.0H,反应生成托法替尼-Imz10
参考文献:Examining The Chirality,Conformation And Selective Kinase Inhibition Of 3-((3R,4R)-4-Methyl-3-(Methyl(7H-Pyrrolo[2,3-D]Pyrimidin-4-yl)Amino)Piperidin-1-yl)-3-Oxopropanenitrile (Cp-690,550)
标题:Examining The Chirality,Conformation And Selective Kinase Inhibition Of 3-((3R,4R)-4-Methyl-3-(Methyl(7H-Pyrrolo[2,3-D]Pyrimidin-4-yl)Amino)Piperidin-1-yl)-3-Oxopropanenitrile (Cp-690,550)
摘要:Here,We Examine The Significance That Stereochemistry Plays Within The Clinically Relevant Janus Kinase 3 (Jak3) Inhibitor 1 (Cp-690,550). A Synthesis Of All Four Enantiopure Stereoisomers Of The Drug Was Carried Out And An Examination Of Each Compound Revealed That Only The Enantiopure 3R,4R Isomer Was Capable Of Blocking Stat5 Phosphorylation (Jak3 Dependent). Each Compound Was Profiled Across A Panel Of Over 350 Kinases,Which Revealed A High Level Of Selectivity For The Jak Family Kinases For These Related Compounds. Each Stereoisomer Retained A Degree Of Binding To Jak3 And Jak2 And The 3R,4S And 3S,4R Stereoisomers Were Further Revealed To Have Binding Affinity For Selected Members Of The Ste7 And Ste20 Subfamily Of Kinases. Finally,An Appraisal Of The Minimum Energy Conformation Of Each Stereoisomer And Molecular Docking At Jak3 Was Performed In An Effort To Better Understand Each Compounds Selectivity And Potency Profiles.
Doi:10.1021/jm801142B