(R)-4-(butylsulfonyl)-7-cyano-2,3,4,5-tetrahydro-3-(phenylmethyl)-1H-1,4-benzodiazepine | 530145-67-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: (R)-4-(butylsulfonyl)-7-cyano-2,3,4,5-tetrahydro-3-(phenylmethyl)-1H-1,4-benzodiazepine
• 英文别名: (3R)-3-benzyl-4-butylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile
• CAS: 530145-67-6
• 化学式: C₂₁H₂₅N₃O₂S
• 分子量: 383.514
• InChiKey: ZCMNRNYTMHOABE-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Glycosidase inhibitors and methods of synthesizing same
  申请人：Pinto Mario Brian

  公开号：US20050065139A1

  公开（公告）日：2005-03-24

  A method for synthesizing Salacinol, its stereoisomers, and analogues, homologues and other derivatives thereof potentially useful as glycolsidase inhibitors. The compounds of the invention may have the general formula (I) or (II): The synthetic schemes comprise reacting a cyclic sulfate with a 5-membered ring sugar containing a heteroatom (X). The heteroatom preferably comprises sulfur, selenium, or nitrogen. The cyclic sulfate and ring sugar reagents may be readily prepared from carbohydrate precursors, such as D-glucose, L-glucose, D-xylose and L-xylose. The target compounds are prepared by opening of the cyclic sulfates by nucleophilic attack of the heteroatoms on the 5-membered ring sugars. The resulting heterocyclic compounds have a stable, inner salt structure comprising a heteroatom cation and a sulfate anion. The synthetic schemes yield various stereoisomers of the target compounds in moderate to good yields with limited side-reactions.

  一种合成Salacinol及其立体异构体、类似物、同系物和其他衍生物的方法，可能用作糖苷酶抑制剂。本发明的化合物可能具有一般式(I)或(II)：合成方案包括将环状硫酸酯与含有杂原子(X)的5元环糖反应。杂原子优选包括硫、硒或氮。环状硫酸酯和环糖试剂可以从碳水化合物前体（如D-葡萄糖、L-葡萄糖、D-木糖和L-木糖）中轻松制备。目标化合物是通过杂原子对5元环糖的亲核攻击打开环状硫酸酯来制备的。所得的杂环化合物具有稳定的内盐结构，包括一个杂原子阳离子和一个硫酸酯阴离子。合成方案以中等至良好的产率产生目标化合物的各种立体异构体，副反应有限。
• Process for the preparation of 3,7-disubstituted-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine compounds
  申请人：——

  公开号：US20030162965A1

  公开（公告）日：2003-08-28

  Methods for the synthesis of benzodiazepine compounds having farnesyl protein transferase inhibitory activity.

  合成具有法尼酰蛋白转移酶抑制活性的苯二氮平类化合物的方法。
• PROCESS FOR THE PREPARATION OF 3,7-DISUBSTITUTED-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE COMPOUNDS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1443936A2

  公开（公告）日：2004-08-11
• EP1443936A4
  申请人：——

  公开号：EP1443936A4

  公开（公告）日：2006-01-11
• US7074921B2
  申请人：——

  公开号：US7074921B2

  公开（公告）日：2006-07-11