2-[[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | 76822-62-3

• 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
• 英文名称: 2-[[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
• CAS: 76822-62-3
• 化学式: C₂₁H₂₃N₇O₅
• 分子量: 453.5
• InChiKey: DYMZJKXGRWVXTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  198
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• ANTIFOLATE COMBINATIONS
  申请人：Roberts Michael J.

  公开号：US20120142692A1

  公开（公告）日：2012-06-07

  The present invention provides combinations of active agents, such combinations comprising one or more antifolate compounds. The particularly can include methotrexate and one or more further antifolate compounds. In specific embodiments, the combinations are useful for treating certain conditions, such as rheumatoid arthritis. The invention also provides articles useful to provide the combinations in desirable dosage forms and combinations. The combinations further may be useful in the treatment of further conditions, including abnormal cell proliferation, inflammatory diseases, asthma, and arthritis.