1-Tert-butyl-3-(3-hydroxy-3-phenylbutyl)thiourea | 1076160-17-2

• 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: 1-Tert-butyl-3-(3-hydroxy-3-phenylbutyl)thiourea
• CAS: 1076160-17-2
• 化学式: C₁₅H₂₄N₂OS
• 分子量: 280.434
• InChiKey: RXNMSGNLWWZXFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  76.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Tert-butyl-3-(3-hydroxy-3-phenylbutyl)thiourea 在 四氯化碳 、 三苯基膦 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 120.0h， 生成 N-tert-butyl-6-methyl-6-phenyl-4,5-dihydro-1,3-thiazin-2-amine
  参考文献：
  名称：

  EP2151435

  摘要：

  公开号：
• 作为产物：
  描述：

  叔丁基异硫氰酸酯 、 4-氨基-2-苯基丁烷-2-醇 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 1-Tert-butyl-3-(3-hydroxy-3-phenylbutyl)thiourea
  参考文献：
  名称：

  AMINODIHYDROTHIAZINE DERIVATIVE

  摘要：

  公开号：

  EP1942105B1

文献信息

• Aminothiazolidine and aminotetrahydrothiazepine derivatives as BACE 1 inhibitors
  申请人：Shionogi & Co., Ltd.

  公开号：EP2612854A1

  公开（公告）日：2013-07-10

  A composition having BACE 1 inhibitory activity containing a compound represented by the general formula (I): wherein ring A is an optionally substituted carbocyclic group or an optionally substituted heterocyclic group; E is lower alkylene; X is S, O, or NR1; R1 is a hydrogen atom or lower alkyl; R2a, R2b, R3a, R3b, R4a and R4b is each independently a hydrogen atom, halogen, or hydroxy etc.; n and m are each independently an integer of 0 to 3; n+m is an integer of 0 to 3; R5 is a hydrogen atom or substituted lower alkyl; its pharmaceutically acceptable salt, or a solvate thereof.

  一种具有 BACE 1 抑制活性的组合物，含有通式 (I) 所代表的化合物： 其中环 A 是任选取代的碳环基团或任选取代的杂环基团； E 是低级亚烷基 X 是 S、O 或 NR1； R1 是氢原子或低级烷基； R2a、R2b、R3a、R3b、R4a 和 R4b 各自独立地为氢原子、卤素或羟基等； n 和 m 各自独立地为 0 至 3 的整数； n+m 是 0 至 3 的整数； R5 是氢原子或取代的低级烷基； 其药学上可接受的盐或其溶液。
• Dihydrooxazine and tetrahydropyrimidine derivatives as BACE 1 inhibitors
  申请人：Shionogi & Co., Ltd.

  公开号：EP2597087A1

  公开（公告）日：2013-05-29

  A composition having BACE 1 inhibitory activity containing a compound represented by the general formula (I): wherein ring A is an optionally substituted carbocyclic group or an optionally substituted heterocyclic group; E is lower alkylene; X is S, O, or NR1; R1 is a hydrogen atom or lower alkyl; R2a, R2b, R3a, R3b, R4a and R4b is each independently a hydrogen atom, halogen, or hydroxy etc.; n and m are each independently an integer of 0 to 3; n+m is an integer of 0 to 3; R5 is a hydrogen atom or substituted lower alkyl; its pharmaceutically acceptable salt, or a solvate thereof.

  一种具有 BACE 1 抑制活性的组合物，含有通式 (I) 所代表的化合物： 其中环 A 是任选取代的碳环基团或任选取代的杂环基团； E 是低级亚烷基 X 是 S、O 或 NR1； R1 是氢原子或低级烷基； R2a、R2b、R3a、R3b、R4a 和 R4b 各自独立地为氢原子、卤素或羟基等； n 和 m 各自独立地为 0 至 3 的整数； n+m 是 0 至 3 的整数； R5 是氢原子或取代的低级烷基； 其药学上可接受的盐或其溶液。
• AMINODIHYDROTHIAZINE DERIVATIVE
  申请人：Shionogi Co., Ltd.

  公开号：EP1942105B1

  公开（公告）日：2014-04-16
• AMINODIHYDROTHIAZINE DERIVATIVES
  申请人：Kobayashi Naotake

  公开号：US20090082560A1

  公开（公告）日：2009-03-26

  A composition having BACE 1 inhibitory activity containing a compound represented by the general formula (I): wherein ring A is an optionally substituted carbocyclic group or an optionally substituted heterocyclic group; E is lower alkylene; X is S, O, or NR 1 ; R 1 is a hydrogen atom or lower alkyl; R 2a , R 2b , R 3a , R 3b , R 4a and R 4b is each independently a hydrogen atom, halogen, or hydroxy etc.; n and m are each independently an integer of 0 to 3; n+m is an integer of 0 to 3; R 5 is a hydrogen atom or substituted lower alkyl; its pharmaceutically acceptable salt, or a solvate thereof.
• PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE
  申请人：Kobayashi Naotake

  公开号：US20100160290A1

  公开（公告）日：2010-06-24

  A pharmaceutical composition for treating Alzheimer's disease containing a compound represented by the general formula (I); wherein ring A is an optionally substituted carbocyclic group or an optionally substituted heterocyclic group; E is lower alkylene, etc.; X is S, O, or NR 1 ; R 1 is a hydrogen atom or lower alkyl; R 2a , R 2b , R 3a , R 3b , R 4a and R 4b are each independently a hydrogen atom, halogen, hydroxy, etc.; n and m are each independently an integer of 0 to 3; n+m is an integer of 1 to 3; and R 5 is a hydrogen atom, optionally substituted lower alkyl, etc.; its pharmaceutically acceptable salt, or a solvate thereof as an active ingredient.