5-氨基-6-氧代-2-苯基-1(6h)-嘧啶乙酸 | 439910-96-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 5-氨基-6-氧代-2-苯基-1(6h)-嘧啶乙酸
• 英文名称: 5-amino-6-oxo-2-phenyl-1(6H)-pyrimidineacetic acid
• 英文别名: 2-(5-amino-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetic acid；5-amino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-ylacetic acid；2-(5-amino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl)acetic acid；2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetic acid
• CAS: 439910-96-0
• 化学式: C₁₂H₁₁N₃O₃
• 分子量: 245.238
• InChiKey: PJZGBCCQMXVQLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-氨基-6-氧代-2-苯基-1(6h)-嘧啶乙酸 在 1-丙基磷酸酐 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 tert-butyl 2-((2-(6-oxo-2-phenyl-5-(3-phenylpropanamido)pyrimidin-1(6H)-yl)acetamido)methyl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS
  [FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES MÉDIÉS PAR LE COMPLÉMENT

  摘要：

  This disclosure provides compounds, compositions, and methods to treat medical disorders, such as complement-mediated disorders, including complement C1s-mediated disorders.

  公开号：

  WO2024035686A1
• 作为产物：
  描述：

  5-acetylamino-6-oxo-2-phenyl-1(6H)-pyrimidineacetic acid 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 以97%的产率得到5-氨基-6-氧代-2-苯基-1(6h)-嘧啶乙酸
  参考文献：
  名称：

  An Improved Synthesis of 5-Acylamino-6-oxo-2-phenyl-1(6H)-pyrimidineacetic Acid from Glycine with Readily Removable Protecting Groups

  摘要：

  Concise synthesis of N-acyl-5-amino-6-oxo-2-phenyl-1(6H)-yrimidineacetic acid was achieved by cyclization reaction of 2-alkyl-4-lkoxymethylene-5(4H)-oxazolone with N-(carboxymethyl)benzamidine, while a similar reaction with sodium salt of 2-alkyl-4-hydroxymethylene-5(4H)-xazolones gave a mixture of regioisomers of the pyrimidinone. N-Acyl groups (acetyl or phenylacetyl) of the pyrimidinone derivatives were readily cleaved under very mild conditions with weak base or enzyme. Thus, the process enabled us to synthesize the drug candidate without exchanging N-protecting group. Since the starting oxazolones were easily prepared from N-acylglycine, the synthetic route can be used for the large scale synthesis of the key intermediate for several enzyme inhibitors.

  DOI：

  10.3987/com-12-12518

文献信息

• Pyrimidine derivatives and process for preparing the same
  申请人：——

  公开号：US20040063936A1

  公开（公告）日：2004-04-01

  A pyrimidine derivative compound of formula (I) or a salt thereof and a method for the preparation thereof. The pyrimidine derivative of formula (I) or a salt thereof is useful as important synthetic intermediate for a pharmaceutical a drug. The method for the preparation of the present invention can provide the compound of formula (E), which is useful as a pharmaceutical drug, more efficiently than conventional method does. (All symbols in the formulae have the same meaning as depicted in the specification) 1

  公式（I）的嘧啶衍生物化合物或其盐以及其制备方法。公式（I）的嘧啶衍生物或其盐在药物制剂中作为重要的合成中间体。本发明的制备方法比传统方法更高效地提供公式（E）的化合物，该化合物在药物制剂中具有重要作用。（公式中的所有符号与说明书中描述的含义相同）1
• Process for preparing pyrimidine compound
  申请人：Takahashi Daisuke

  公开号：US20050165234A1

  公开（公告）日：2005-07-28

  Azlactone Compound (2) is reacted with Amidine Compound (3) to give Pyrimidine Compound (1) which is useful as an intermediate for the production of enzyme inhibitors (e.g., elastase inhibitor, chymase inhibitor etc.): wherein each symbol is as defined in the specification.

  Azlactone化合物(2)与Amidine化合物(3)反应，得到嘧啶化合物(1)，该化合物可用作生产酶抑制剂（例如弹性蛋白酶抑制剂，胰蛋白酶抑制剂等）的中间体：其中每个符号如规范所定义。
• PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1346985A1

  公开（公告）日：2003-09-24

  A pyrimidine derivative compound of formula (I) or a salt thereof and a method for the preparation thereof. The pyrimidine derivative of formula (I) or a salt thereof is useful as important synthetic intermediate for a pharmaceutical a drug. The method for the preparation of the present invention can provide the compound of formula (E), which is useful as a pharmaceutical drug, more efficiently than conventional method does. (All symbols in the formulae have the same meaning as depicted in the specification)

  一种式（I）的嘧啶衍生物化合物或其盐及其制备方法。 式（I）的嘧啶衍生物或其盐可用作药物的重要合成中间体。与传统方法相比，本发明的制备方法能更有效地提供可用作药物的式 (E) 化合物。 (式中所有符号的含义与说明书中描述的相同）
• PROCESS FOR PRODUCING PYRIMIDINE COMPOUND
  申请人：Ajinomoto Co., Inc.

  公开号：EP1553090A1

  公开（公告）日：2005-07-13

  Azlactone Compound (2) is reacted with Amidine Compound (3) to give Pyrimidine Compound (1) useful as an intermediate for enzyme inhibitors (e.g., elastase inhibitor, chymase inhibitor etc.): Pyrimidine Compound (1) Azlactone Compound (2) Amidine Compound (3) wherein each symbol is as defined in the specification.

  氮内酯化合物（2）与脒化合物（3）反应生成嘧啶化合物（1），可用作酶抑制剂 （如弹性蛋白酶抑制剂、糜蛋白酶抑制剂等）的中间体： 嘧啶化合物(1) 阿兹内酯化合物(2) 脒化合物(3) 其中各符号如说明书中所定义。
• EP1553090
  申请人：——

  公开号：——

  公开（公告）日：——