N-[5-(4-{[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl}phenyl)-4-methyl-1,3-thiazol-2-yl]guanidine | 952750-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[5-(4-{[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl}phenyl)-4-methyl-1,3-thiazol-2-yl]guanidine
• 英文别名: 2-[5-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-thiazol-2-yl]guanidine
• CAS: 952750-64-0
• 化学式: C₂₂H₂₄N₆O₂S
• 分子量: 436.538
• InChiKey: UUAALJCSTPIICD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  149
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl (E)-4-(2-nitroprop-1-en-1-yl)benzoate 在 lithium hydroxide 、 sodium hydroxide 、 水 、 双氧水 、 N,N-二甲基苯胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 19.5h， 生成 N-[5-(4-{[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl}phenyl)-4-methyl-1,3-thiazol-2-yl]guanidine
  参考文献：
  名称：

  WO2007/120096

  摘要：

  公开号：

文献信息

• NOVEL PHARMACEUTICAL
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1987827A1

  公开（公告）日：2008-11-05

  A tissue-selective androgen receptor modulator containing a compound represented by the formula wherein Ring A represents an optionally substituted 5- to 8-membered ring, Ring B represents an optionally further substituted 4- to 10-membered ring, Ring C represents an optionally further substituted benzene ring, X1 represents an optionally substituted carbon atom, X2 represents an optionally substituted carbon atom, an oxygen atom and the like, W1 represents a nitrogen atom and the like, Y11 represents a group represented by the formula CR2R3' (wherein R2 represents a hydrogen atom, a cyano group, a nitro group and the like, and R3' represents a bond, a hydrogen atom, a cyano group, a nitro group and the like, respectively), Y21 represents a group represented by the formula CR4R5' (wherein R4 represents a hydrogen atom, a cyano group, a nitro group and the like, and R5' represents a bond, a hydrogen atom, a cyano group, a nitro group and the like, respectively) and the like, R1 represents an electron-withdrawing group, and the formula - - - represents a single bond or a double bond, or a salt thereof or a prodrug thereof.

  一种组合物，包含一种组分，该组分的结构式如下：其中，环A代表一个可选取代的5-至8环，环B代表一个可选进一步取代的4-至10环，环C代表一个可选进一步取代的苯环，X1代表一个可选取代的碳原子，X2代表一个可选取代的碳原子、氧原子等，W1代表一个氮原子等，Y11代表一个由式CR2R3'（其中，R2代表氢原子、氰基、硝基等，R3'分别代表键、氢原子、氰基、硝基等）表示的基团，Y21代表一个由式CR4R5'（其中，R4代表氢原子、氰基、硝基等，R5'分别代表键、氢原子、氰基、硝基等）表示的基团等，R1代表一个电子吸引基团，而式- - -表示单键或双键，或其盐或前药。
• Novel Pharmaceutical
  申请人：Yamaoka Masuo

  公开号：US20090042857A1

  公开（公告）日：2009-02-12

  A tissue-selective androgen receptor modulator containing a compound represented by the formula wherein Ring A represents an optionally substituted 5- to 8-membered ring, Ring B represents an optionally further substituted 4- to 10-membered ring, Ring C represents an optionally further substituted benzene ring, X 1 represents an optionally substituted carbon atom, X 2 represents an optionally substituted carbon atom, an oxygen atom and the like, W 1 represents a nitrogen atom and the like, Y 11 represents a group represented by the formula CR 2 R 3′ (wherein R 2 represents a hydrogen atom, a cyano group, a nitro group and the like, and R 3′ represents a bond, a hydrogen atom, a cyano group, a nitro group and the like, respectively), Y 21 represents a group represented by the formula CR 4 R 5′ (wherein R 4 represents a hydrogen atom, a cyano group, a nitro group and the like, and R 5′ represents a bond, a hydrogen atom, a cyano group, a nitro group and the like, respectively) and the like, R 1 represents an electron-withdrawing group, and the formula represents a single bond or a double bond, or a salt thereof or a prodrug thereof.

  一种组合物的组成式，该组合物是一种组织选择性的雄激素受体调节剂，其中环A代表可选取代的5-至8-环，环B代表可选取代的4-至10-环，环C代表可选取代的苯环，X1代表可选取代的碳原子，X2代表可选取代的碳原子、氧原子等，W1代表氮原子等，Y11代表由式CR2R3'（其中R2代表氢原子、氰基、硝基等，R3'代表键、氢原子、氰基、硝基等，分别）表示的基团，Y21代表由式CR4R5'（其中R4代表氢原子、氰基、硝基等，R5'代表键、氢原子、氰基、硝基等，分别）表示的基团等，R1代表电子吸引基团，式表示单键或双键，或其盐或前药。
• Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies
  申请人：Berg Stefan

  公开号：US20100298340A1

  公开（公告）日：2010-11-25

  This invention relates to novel compounds having the structural formula I below: and to their pharmaceutically acceptable salt, compositions and methods of use. These novel compounds provide a treatment or prophylaxis of cognitive impairment, Alzheimer Disease, neurodegeneration and dementia.

  本发明涉及以下结构式I的新化合物，以及它们的药学上可接受的盐、组合物和使用方法。这些新化合物可用于治疗或预防认知障碍、阿尔茨海默病、神经退行性疾病和痴呆症。
• FUSED BENZENE DERIVATIVE AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1553074B1

  公开（公告）日：2014-06-18
• THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES
  申请人：AstraZeneca AB

  公开号：EP2010508A1

  公开（公告）日：2009-01-07