CAS: 182009-04-7; (2R)-2-{[4-(2-{2-Amino-4-Oxo-3H,4H,7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl}Ethyl)Phenyl]Formamido}Pentanedioic Acid
- 英文名称(2R)-2-{[4-(2-{2-Amino-4-Oxo-3H,4H,7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl}Ethyl)Phenyl]Formamido}Pentanedioic Acid
- 中文名称N-[4-[2-(2-氨基-4,7-二氢-4-氧代-3H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰基]-D-谷氨酸
- IUPAC名称(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoyl)-D-glutamic acid
- 其它别名(R)-2-(4-(2-(2-Amino-4-Oxo-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl)Benzamido)Pentanedioic Acid; Pemetrexed Bp Impurity E; Pemetrexed Impurity 10; Pemetrexed Ep Imp E; Pemetrexed Impurity 4/pemetrexed Ep Impurity E/(4-(2-(2-Amino-4-Oxo-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl)Benzoyl)-D-Glutamic Acid; D-Glutamic Acid, N-[4-[2-(2-Amino-4,7-Dihydro-4-Oxo-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl]Benzoyl]-; Pemetrexed R-Isomer; Pemetrexed Ep Impurity E (R-Pemetrexed)
- CAS编号182009-04-7
- MFCD编号:MFCD28355887
- EINECS号:805-167-0
- 分子式:C20H21N5O6分子量:427.42
- 产品CID: 936490
- 产品分类Chemistry → Heterocyclic Building Blocks → Aromatic Heterocycles | Pyrimidines
- 相似结构搜索
- InChIKey: WBXPDJSOTKVWSJ-CYBMUJFWSA-N
- InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21
- 计算化学: 氢键受体数11.0氢键供体数7.0可旋转键数10.0
欧盟法规
ECHA物质C&L通报合成工艺路线路线简述
- 合成目标产物 Pemetrexed Ep Impurity E 主要起始原料 Pemetrexed Ep Impurity E
- 104-15-4 = 182009-04-7
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 1 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 8.0
标题:Synthesis And Physicochemical Characterization Of The Impurities Of Pemetrexed Disodium,An Anticancer Drug
作者:Michalak,Olga; Gruza,Mariusz M.; Witkowska,Anna; Bujak,Iwona; Cmoch,Piotr
参考文献:Molecules 日期:2015 卷标:20(6) 页码:10004-10031
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