(5R)-2'-methyl-3-nitro-1',1'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-6H-1,2,4-thiadiazine]-3'-amine

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (5R)-2'-methyl-3-nitro-1',1'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-6H-1,2,4-thiadiazine]-3'-amine
• 化学式: C14H18N4O4S
• 分子量: 338.38
• InChiKey: XPLFAMDLDRKZKI-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] C5-SPIRO IMINOTHIADIAZINE DIOXIDES AS BACE INHIBITORS<br/>[FR] DIOXYDES D'IMINOTHIADIAZINE SPIRO C5 UTILISÉS EN TANT QU'INHIBITEURS DE BACE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014099788A1

  公开（公告）日：2014-06-26

  In its many embodiments, the present invention provides certain C5-spiro iminothiadiazine dioxide compounds, including compounds Formula (I): (structurally represented) or tautomers thereof, and pharmaceutically acceptable salts of said compounds, wherein R1, R2, R3, X, Y, s, ring A, RA, m, -L1-, and RL are as defined herein. The novel compounds of the invention are useful as BACE inhibitors and/or for the treatment and prevention of various pathologies related thereto. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use, including for the possible treatment of Alzheimer's disease, are also disclosed: