3-(3-HEXYLOXY-1,2,5-THIADIAZOL-4-YL)-1,2,5,6-TETRAHYDRO-1-DEUTEROMETHYLPYRIDINE | 201987-52-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-HEXYLOXY-1,2,5-THIADIAZOL-4-YL)-1,2,5,6-TETRAHYDRO-1-DEUTEROMETHYLPYRIDINE
• 英文别名: 3-[1-(deuteriomethyl)-3,6-dihydro-2H-pyridin-5-yl]-4-hexoxy-1,2,5-thiadiazole
• CAS: 201987-52-2
• 化学式: C₁₄H₂₃N₃OS
• 分子量: 282.414
• InChiKey: JOLJIIDDOBNFHW-VMNATFBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.5
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Xanomeline derivatives and methods for treating neurological disorders
  申请人：Karuna Therapeutics, Inc.

  公开号：US11534434B2

  公开（公告）日：2022-12-27

  Provided herein are compounds comprising compounds of formula I and/or salts thereof; wherein at least one of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , and R 13 is fluorine, and the remainder are independently chosen from hydrogen and fluorine; and R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 , and R 23 are independently chosen from hydrogen and deuterium; with the proviso that when R 1 , R 2 , and R 3 are fluorine, then at least one of R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , and R 13 is fluorine or at least one of R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 , and R 23 is deuterium. Also provided are medicaments comprising these compounds and methods for treating central nervous system disorders with the compounds and medicaments described herein.

  本文提供的化合物包括式 I 化合物 和/或其盐； 其中 R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 和 R 13 是氟，其余独立地选自氢和氟；以及 R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 和 R 23 独立地选自氢和氘；但当 R 1 , R 2 和 R 3 为氟，则 R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 和 R 13 是氟或 R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 和 R 23 为氘。此外，还提供了包含这些化合物的药物，以及用本文所述化合物和药物治疗中枢神经系统疾病的方法。
• XANOMELINE DERIVATIVES AND METHODS FOR TREATING NEUROLOGICAL DISORDERS
  申请人：Karuna Therapeutics, Inc.

  公开号：US20210145810A1

  公开（公告）日：2021-05-20

  Provided herein are compounds comprising compounds of formula I and/or salts thereof; wherein at least one of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , and R 13 is fluorine, and the remainder are independently chosen from hydrogen and fluorine; and R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 , and R 23 are independently chosen from hydrogen and deuterium; with the proviso that when R 1 , R 2 , and R 3 are fluorine, then at least one of R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , and R 13 is fluorine or at least one of R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 , and R 23 is deuterium. Also provided are medicaments comprising these compounds and methods for treating central nervous system disorders with the compounds and medicaments described herein.