4-[甲基[(2-氨基-4-羟基蝶啶)-6-基甲基]氨基]苯甲酸 | 5623-18-7

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 中文名称: 4-[甲基[(2-氨基-4-羟基蝶啶)-6-基甲基]氨基]苯甲酸
• 中文别名: 甲喋呤杂质D；氨甲叶酸EP杂质D；甲氨蝶呤杂质D
• 英文名称: 10-methyl-pteroic acid
• 英文别名: 10-Methyl-pteroinsaeure；Metfol-B；4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-methylamino]benzoic acid
• CAS: 5623-18-7
• 化学式: C₁₅H₁₄N₆O₃
• 分子量: 326.315
• InChiKey: QHNLFEQJGRZKTK-UHFFFAOYSA-N

物化性质

• 熔点：
  >245°C (dec.)
• 沸点：
  583.7±60.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于水基（轻微）、DMSO（非常轻微、加热）、甲醇（非常轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  4-[N-(2,4-二氨基-6-蝶啶甲基)-N-甲氨基]苯甲酸半盐酸盐n水 在 sodium hydroxide 作用下， 生成 4-[甲基[(2-氨基-4-羟基蝶啶)-6-基甲基]氨基]苯甲酸
  参考文献：
  名称：

  Method of preparing substituted pteridines

  摘要：

  公开号：

  US02525150A1

文献信息

• ANTI-CANCER PHOSPHONATE ANALOGS
  申请人：Boojamra Constantine G.

  公开号：US20100022467A1

  公开（公告）日：2010-01-28

  The invention is related to phosphorus substituted anti-cancer compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷取代的抗癌化合物、含有这些化合物的组合物以及包括给予这些化合物的治疗方法，还涉及用于制备这些化合物的过程和中间体。
• Analogs of Pteroylglutamic Acid. I. N¹⁰-Alkylpteroic Acid and Derivatives
  作者：Donna B. Cosulich、James M. Smith

  DOI：10.1021/ja01185a081

  日期：1948.5
• Phosphonate analogs of antimetabolites
  申请人：Fardis Maria

  公开号：US20070027114A1

  公开（公告）日：2007-02-01

  The invention is related to phosphorus substituted antimetabolites, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.
• Compositions and Methods for Treating Burns
  申请人：HICKS Terry Lee

  公开号：US20080279820A1

  公开（公告）日：2008-11-13

  The present invention provides compositions and methods for treating burns comprising administering to a burn area of a subject in need thereof of a therapeutically effective amount of a composition comprising an anti-cytokine or anti-inflammatory agent or a functional derivative thereof, and a pharmaceutically acceptable excipient.
• PHOSPHONATE ANALOGS OF ANTIMETABOLITES
  申请人：Fardis Maria

  公开号：US20090156558A1

  公开（公告）日：2009-06-18

  The invention is related to phosphorus substituted antimetabolites, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.