CAS: 193265-47-3; 4-(2-(2-Amino-4,6-Dioxo-4,5,6,7-Tetrahydro-3H-Pyrrolo[2,3-D]Pyrimidin-5-yl)Ethyl)Benzoic Acid

该化合物是一种杂交循环化合物,其特点是闪烁[2,3-d]pyrimidine核心,通过乙基空间仪与苯并酸共聚物相连.这一结构在药用化学中具有独特的再活动性和潜在应用,特别是作为设计酶抑制剂或受体调节器的脚手.氨基和二氧功能组的存在提高了其参与氢联结和金属协调的能力,使其对定向分子互动具有价值.其苯并酸组进一步提高了溶性和衍生潜力.这一化合物对药物研究的结构多功能性和潜在生物活性具有兴趣.

英文名称4-(2-(2-Amino-4,6-Dioxo-4,5,6,7-Tetrahydro-3H-Pyrrolo[2,3-D]Pyrimidin-5-yl)Ethyl)Benzoic Acid
中文名称4-[2-(2-氨基-4,5,6,7-四氢-4,6-二羰基-3H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酸
IUPAC名称4-(2-(2-amino-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid
其它别名Pemetrexed Acid Oxo Impurity; 4-[2-(2-Amino-4,5,6,7-Tetrahydro-4,6-Dioxo-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl]Benzoic Acid; 4-[2-(2-Amino-4,6-Dioxo-4,5,6,7-Tetrahydro-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)-Ethyl]-Benzoic Acid; 4-(2-(2-Amino-4,6-Dioxo-4,5,6,7-; 4-(2-{2-Amino-4,6-Dioxo-3H,4H,5H,6H,7H-Pyrrolo[2,3- D]Pyrimidin-5-Yl}Ethyl)Benzoic Acid; Pemetrexed Acid Oxo Impurities; Benzoic Acid, 4-[2-(2-Amino-4,5,6,7-Tetrahydro-4,6-Dioxo-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl]-; Pemetrexed Impurity 59
CAS编号193265-47-3
MFCD编号:MFCD29039483
FDA UNII编号:NZ5ZQT2U6B
分子式:C15H14N4O4分子量:314.3
产品CID: 978816
产品分类有机原料 → 有机杂环化合物 → 吡咯并嘧啶类

相似结构搜索
InChIKey: XDCYFUHVBXQODS-UHFFFAOYSA-N
InChI=1S/C15H14N4O4/c16-15-18-11-10(13(21)19-15)9(12(20)17-11)6-3-7-1-4-8(5-2-7)14(22)23/h1-2,4-5,9H,3,6H2,(H,22,23)(H4,16,17,18,19,20,21)
计算化学: 氢键受体数4.0氢键供体数4.0可旋转键数4.0

MSDS等安全信息

警示词warning
危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

methyl 4-[2-(2-amino-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoate 4-methoxycarbonylphenyl bromide 4-(4-carbomethoxyphenyl)butanal 2-{4-[2-(2-amino-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid dimethyl 2-{4-[2-(2-amino-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioate