6,7-dimethyl-3-oxo-4-D-ribitol-1-yl-3,4-dihydro-quinoxaline-2-carboxylic acid methyl ester | 109734-75-0

• 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: 6,7-dimethyl-3-oxo-4-D-ribitol-1-yl-3,4-dihydro-quinoxaline-2-carboxylic acid methyl ester
• 英文别名: 6,7-Dimethyl-3-oxo-4-D-ribit-1-yl-3,4-dihydro-chinoxalin-2-carbonsaeure-methylester；methyl 6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxaline-2-carboxylate
• CAS: 109734-75-0
• 化学式: C₁₇H₂₂N₂O₇
• 分子量: 366.371
• InChiKey: TUQBVPXNDOECEG-GUTXKFCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6,7-dimethyl-3-oxo-4-D-ribitol-1-yl-3,4-dihydro-quinoxaline-2-carboxylic acid methyl ester 在 吡啶 、 盐酸 、 甲醇 、 甲酸 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 水 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 119.0h， 生成 N-[2-(dimethylamino)ethyl]-6,7-dimethyl-3-oxo-4-[(2S,3R,4R)-2,3,4-trihydroxy-5-(2-hydroxyethylamino)pentyl]quinoxaline-2-carboxamide
  参考文献：
  名称：

  WO2020117974A5

  摘要：

  公开号：

  WO2020117974A5
• 作为产物：
  描述：

  维生素 B2 在 氯化亚砜 、 水 、 sodium hydroxide 作用下， 反应 2.0h， 生成 6,7-dimethyl-3-oxo-4-D-ribitol-1-yl-3,4-dihydro-quinoxaline-2-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2020117974A5

  摘要：

  公开号：

  WO2020117974A5

文献信息

• Cresswell et al., Journal of the Chemical Society, 1959, p. 698,704
  作者：Cresswell et al.

  DOI：——

  日期：——
• [EN] COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR TRAITEMENTS OCULAIRES
  申请人：AVEDRO INC

  公开号：WO2020117974A1

  公开（公告）日：2020-06-11

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt and/or hydrate and/or prodrug of the compound) that that generates cross-linking in the cornea in response to exposure to an electromagnetic irradiation. This disclosure also features compositions containing the same as well as other methods of using and making the same. The chemical entities are useful, e.g., for treating a subject (e.g., a human) having a disease, disorder, or condition in which in which abnormal shaping of the cornea (e.g., thinning of the cornea, e.g., bilateral thinning of the cornea, e.g., bilateral thinning of the central, paracentral, or peripheral cornea; or steepening (e.g., bulging) of the cornea) contributes to the pathology and/or symptoms and/or progression of the disease, disorder, or condition. Non-limiting examples of such diseases, disorders, or conditions include: (i) corneal ectatic disorders; (ii) vision conditions; and (iii) diseases, disorders, or conditions that are sequela or comorbid with any of the foregoing or any disclosed herein. More particular non-limiting examples of such diseases, disorders, or conditions include keratoconus, keratoglobus, pellucid marginal degeneration, corneal ectasia (e.g., post-operative ectasia, e.g., post-LASIK ectasia), Terrien's marginal degeneration, myopia, hyperopia, astigmatism, irregular astigmatism, and presbyopia.