(3AS,4S,6R,6AR)-N-ethyl-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide | 334701-71-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3AS,4S,6R,6AR)-N-ethyl-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
• 英文别名: (3aR,4R,6S,6aS)-N-ethyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
• CAS: 334701-71-2
• 化学式: C₁₁H₁₉NO₅
• 分子量: 245.276
• InChiKey: XAIZUKJPTCMOII-IBCQBUCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3AS,4S,6R,6AR)-N-ethyl-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide 在 吡啶 、 Dowex 50 (H⁺) 、 硫酸 作用下， 以 甲醇 为溶剂， 生成 1,2,3-tri-O-acetyl-N-ethyl-β-D-ribofuranuronamide
  参考文献：
  名称：

  COUPLING OF 2,6-DISUBSTITUTED PURINES TO RIBOSE-MODIFIED SUGARS

  摘要：

  1,2,3-Tri-O-acetyl-N-ethyl-beta -D-ribofuranuronamide was synthesized in three steps starting from 1-O-methyl-(2,3-O-isopropylidene)-beta -D-ribofuranuronic acid. Both the triacetyl and the 1-O-methyl-2,3-di-O-acetyl derivatives were coupled to the 2,6-dichloropurine to obtain the acetylated 1-(2,6-dichloro-9H-purin-9-yl)- 1-deoxy-N-ethyl-beta -D-erythro-pentofuranuronamide. H-1 NMR and n.O.e. data accounted for both anomeric and N-7/N-9 isomeric configuration.

  DOI：

  10.1081/ncn-100002427
• 作为产物：
  描述：

  2,3-邻异亚丙基-1-邻甲基-D-核糖酸 在 氯化亚砜 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3AS,4S,6R,6AR)-N-ethyl-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
  参考文献：
  名称：

  COUPLING OF 2,6-DISUBSTITUTED PURINES TO RIBOSE-MODIFIED SUGARS

  摘要：

  1,2,3-Tri-O-acetyl-N-ethyl-beta -D-ribofuranuronamide was synthesized in three steps starting from 1-O-methyl-(2,3-O-isopropylidene)-beta -D-ribofuranuronic acid. Both the triacetyl and the 1-O-methyl-2,3-di-O-acetyl derivatives were coupled to the 2,6-dichloropurine to obtain the acetylated 1-(2,6-dichloro-9H-purin-9-yl)- 1-deoxy-N-ethyl-beta -D-erythro-pentofuranuronamide. H-1 NMR and n.O.e. data accounted for both anomeric and N-7/N-9 isomeric configuration.

  DOI：

  10.1081/ncn-100002427

文献信息

• Purine derivatives
  申请人：——

  公开号：US20010020089A1

  公开（公告）日：2001-09-06

  The present invention relates to the compounds of the formula: 1 and pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, composites containing, and the uses of such compounds as adenosine A2a receptor agonists.

  本发明涉及公式1的化合物及其药用可接受的盐和溶剂合物，以及用于制备、用于制备的中间体、含有的复合物和将这些化合物用作腺苷A2a受体激动剂的用途的过程。
• 2-aminocarbonyl-9H-purine derivatives
  申请人：——

  公开号：US20020058641A1

  公开（公告）日：2002-05-16

  The present invention relates to compounds of the formula. 1 and pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such compounds.

  本发明涉及公式.1的化合物及其药学上可接受的盐和溶剂化物，以及制备这些化合物所使用的中间体、含有这些化合物的组合物的制备方法和用途。
• 2-Aminocarbonyl-9H-purine derivatives
  申请人：Pfizer Inc

  公开号：US20040077584A1

  公开（公告）日：2004-04-22

  The present invention relates to compounds of the formula: 1 and pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such compounds.

  本发明涉及公式1的化合物：1及其药学上可接受的盐和溶剂，以及制备这些化合物的中间体、含有这些化合物的组合物的制备过程和用途。
• PURINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1220862B1

  公开（公告）日：2006-03-22
• 2-AMINOCARBONYL-9H-PURINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1292604A1

  公开（公告）日：2003-03-19