1,2,4-Triazolo(3,4-a)phthalazine, 3-(5-methyl-3-isoxazolyl)-6-((1-methyl-1H-1,2,3-triazol-4-yl)methoxy)-, hydrate (1:2) | 268541-28-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(5-methyl-3-isoxazolyl)-6-((1-methyl-1H-1,2,3-triazol-4-yl)methoxy)-, hydrate (1:2)
• 英文别名: 5-methyl-3-[6-[(1-methyltriazol-4-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole;dihydrate
• CAS: 268541-28-2
• 化学式: C17H18N8O4
• 分子量: 398.4
• InChiKey: KFZXNQOVHVSRLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• Therapeutic polymorphs of a GABA-A alpha-5 inverse agonist and pamoate formulations of the same
  申请人：Merck & Co., Inc.

  公开号：US20010049439A1

  公开（公告）日：2001-12-06

  There is disclosed 3-(5-methylisoxazol-3-yl)-6-(1-methyl-1,2,3-triazol-4-yl)methyloxy-1,2,4-triazolo[3,4-a]phthalazine in the form of a dihydrate, a dehydrate of the dihydrate and a pentahydrate, pharmaceutical compositions comprising the forms, the use of the forms for enhancing cognition, processes for producing the forms, their incorporation in pharmaceutical compositions comprising pamoate ions and the use of such ions for solubilizing neutral molecules.

  披露了3-(5-甲基异噁唑-3-基)-6-(1-甲基-1,2,3-三唑-4-基)甲氧基-1,2,4-三唑并且以二水合物、二水合物的脱水物和五水合物的形式存在，包括这些形式的药物组合物，用于增强认知的形式的使用，生产这些形式的过程，它们在包含帕莫酸离子的药物组合物中的应用以及使用这些离子溶解中性分子。
• THERAPEUTIC POLYMORPHS OF A GABA-A ALPHA-5 INVERSE AGONIST AND PAMOATE FORMULATIONS OF THE SAME
  申请人：Merck & Co., Inc.

  公开号：EP1129094A2

  公开（公告）日：2001-09-05
• US6534505B2
  申请人：——

  公开号：US6534505B2

  公开（公告）日：2003-03-18
• [EN] THERAPEUTIC POLYMORPHS OF A GABA-A ALPHA-5 INVERSE AGONIST AND PAMOATE FORMULATIONS OF THE SAME<br/>[FR] POLYMORPHES THERAPEUTIQUES D'UN AGONISTE INVERSE DE GABA-A ALPHA-5 ET FORMULATIONS DE PAMOATE DE CEUX-CI
  申请人：MERCK & CO INC

  公开号：WO2000027849A2

  公开（公告）日：2000-05-18

  There is disclosed 3-(5-methylisoxazol-3-yl)-6-(1-methyl-1,2,3-triazol-4-yl)methyloxy-1,2,4-triazolo[3,4-a]phthalazine in the form of a dihydrate, a dehydrate of the dihydrate and a pentahydrate, pharmaceutical compositions comprising the forms, the use of the forms for enhancing cognition, processes for producing the forms, their incorporation in pharmaceutical compositions comprising pamoate ions and the use of such ions for solubilizing neutral molecules.