benzyl (piperidin-1-ylsulfonyl)carbamate | 1048018-03-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl (piperidin-1-ylsulfonyl)carbamate
• 英文别名: N-(1-piperidinylsulfonyl)carbamic acid phenylmethyl ester；benzyl N-piperidin-1-ylsulfonylcarbamate
• CAS: 1048018-03-6
• 化学式: C₁₃H₁₈N₂O₄S
• 分子量: 298.363
• InChiKey: JWRBAXIGECMJKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  84.1
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：EP2876105A1

  公开（公告）日：2015-05-27

  A compound represented by formula (1) (in the formula: ring-D represents a three- to eight-membered hydrocarbon ring; Ra represents an optionally substituted amino C1-6 alkyl group or the like; Rb1 and Rb2 each independently represent a hydrogen atom, a halogen atom, or the like; Rc represents an optionally substituted C6-10 aryl group or the like; Rd represents a hydrogen atom or the like; and ring-Q represents a (hetero)aryl group or the like which may be substituted with a carboxyl group or the like) or a pharmaceutically acceptable salt thereof exhibits an excellent FXIa inhibitory activity, and is useful as a therapeutic agent against thrombosis or the like.

  由式(1)代表的化合物（式中：环-D 代表三至八元烃环；Ra 代表任选取代的氨基 C1-6 烷基或类似物；Rb1 和 Rb2 各自独立地代表氢原子、卤素原子或类似物；Rc 代表任选取代的 C6-10 芳基或类似物；Rd代表氢原子或类似物；环-Q代表可被羧基或类似物取代的（杂）芳基或类似物）或其药学上可接受的盐具有优异的 FXIa 抑制活性，可用作血栓或类似物的治疗剂。