(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione;1,4-dioxane | 60485-79-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione;1,4-dioxane
• CAS: 60485-79-2
• 化学式: C21H25ClO8
• 分子量: 440.9
• InChiKey: HWWWBHSXOOKCOT-BVQPHPBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• SAMPLE ARRAYS AND HIGH-THROUGHPUT TESTING THEREOF TO DETECT INTERACTIONS
  申请人：Transform Pharmaceuticals, Inc.

  公开号：EP1204766A1

  公开（公告）日：2002-05-15
• EP1204766A4
  申请人：——

  公开号：EP1204766A4

  公开（公告）日：2003-09-17
• [EN] SAMPLE ARRAYS AND HIGH-THROUGHPUT TESTING THEREOF TO DETECT INTERACTIONS<br/>[FR] RESEAUX D'ECHANTILLONS ET TEST A HAUT RENDEMENT DE CES DERNIERS POUR DETECTER DES INTERACTIONS
  申请人：TRANSFORM PHARMACEUTICALS INC

  公开号：WO2001009391A1

  公开（公告）日：2001-02-08

  The invention relates to high-throughput methods to prepare an array comprising a large number of samples, each sample consisting of a combination of components, at varying concentrations and identities, and high-throughput methods to test each sample for one or more properties. Such methods allow detection or measurement of interactions or detection of lack of interactions between inactive components and active components; between multiple inactive components; or between multiple active components. The invention is particularly suited for making a large number of pharmaceutical-excipient samples at the same time, then rapidly testing each sample to detect or measure an interaction. Once such interaction is detected or measured, it can be exploited to develop optimized formulations for pharmaceutical administration.