[2'-(5-trichloromethyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl bromide

• 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: [2'-(5-trichloromethyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl bromide
• 英文别名: 5-Trichloromethyl-3-(4'-bromomethylbiphenyl-2-yl)-1,2,4-oxadiazole；3-[4'-(bromomethyl)biphenyl-2-yl]-5-(trichloromethyl)-1,2,4-oxadiazole；3-[2-[4-(bromomethyl)phenyl]phenyl]-5-(trichloromethyl)-1,2,4-oxadiazole
• 化学式: C₁₆H₁₀BrCl₃N₂O
• 分子量: 432.531
• InChiKey: HFJGODNEMXCNEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2'-(5-trichloromethyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl bromide 、 2-ethylmercapto-5-benzyl-6-methyl-3H-pyrimidin-4-one 在 caesium carbonate 、 sodium hydroxide 、 水 作用下， 以 N,N-二甲基甲酰胺 、 四氢呋喃 、 乙醇 为溶剂， 反应 12.5h， 以6%的产率得到5-benzyl-2-(ethylthio)-6-methyl-3-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one
  参考文献：
  名称：

  WO2008/62905

  摘要：

  公开号：
• 作为产物：
  描述：

  5-Trichloromethyl-3-(4'-methylbiphenyl-2-yl)-1,2,4-oxadiazole 以76的产率得到[2'-(5-trichloromethyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl bromide
  参考文献：
  名称：

  Heterocyclic compounds and their use as angiotensin antagonists

  摘要：

  以上公式所示的化合物或其盐具有强烈的血管紧张素II拮抗活性、降压作用和中枢神经系统活性，并可用作循环系统疾病（如高血压病和心脏疾病（例如高心率、心力衰竭、心肌梗塞）、中风、脑出血、肾炎、动脉硬化、老年痴呆症等）的治疗剂。

  公开号：

  US05583141A1

文献信息

• Compound which is angiotensin II antagonist
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05243054A1

  公开（公告）日：1993-09-07

  ##STR1## compounds shown by the above formula or salt thereof show a strong angiotensin II antagonistic activity and hypotensive action and CNS activity, and are useful as therapeutic agents of circulatory diseases such as hypertensive diseases and heart diseases (e.g. hypercardia, heart failure, cardiac infarction), strokes, cerebral apoplexy, nephritis, atherosclerosis, Alzheimer's disease, senile dementia, etc.

  上述公式所示的##STR1##化合物或其盐表现出强烈的抗肾素II活性和降压作用以及中枢神经系统活性，并且可用作循环系统疾病（如高血压病和心脏病（例如高心排血量、心力衰竭、心肌梗死）、中风、脑卒中、肾炎、动脉粥样硬化、阿尔茨海默病、老年痴呆症等）的治疗剂。
• Cyclic compounds and their use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05500427A1

  公开（公告）日：1996-03-19

  The present invention relates to a compounds represented by the following formula or salts thereof. ##STR1## The above compounds have strong angiotensin II antagonistic action, antihypertensive action and action on central nervous system, which are useful for the treatment of circulatory diseases such as hypertension, heart diseases, cerebral apoplexy, nephritis, atherosclerosis or Alzheimer's disease and senile dementia, and for agents of improving cerebral function.

  本发明涉及以下化合物或其盐所代表的化合物。上述化合物具有强大的抗肾素Ⅱ作用、降压作用和对中枢神经系统的作用，对于治疗高血压、心脏病、脑卒中、肾炎、动脉粥样硬化或阿尔茨海默病和老年性痴呆等循环系统疾病以及改善脑功能的药物非常有用。
• Compound and salts thereof which antagonize angiotensin II
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05354766A1

  公开（公告）日：1994-10-11

  ##STR1## Compounds shown by the above formula or salt thereof show a strong angiotensin II antagonistic activity and hypotensive action and CNS activity, and are useful as therapeutic agents of circulatory diseases such as hypertensive diseases and heart diseases (e.g. hypercardia, heart failure, cardiac infarction), strokes, cerebral apoplexy, nephritis, atherosclerosis, Alzheimer's disease, senile dementia, etc.

  上述公式所示的化合物或其盐表现出强烈的血管紧张素II拮抗活性、降压作用和中枢神经系统活性，可用作治疗循环系统疾病，如高血压病和心脏疾病（例如心肌病、心力衰竭、心肌梗塞）、中风、脑卒中、肾炎、动脉硬化、阿尔茨海默病、老年痴呆症等的治疗剂。
• HETEROMONOCYCLIC COMPOUND AND USE THEREOF
  申请人：Kuroita Takanobu

  公开号：US20080207654A1

  公开（公告）日：2008-08-28

  A compound represented by the formula (I): wherein R1 is an oxo group, ═N—R or the like; a group represented by the formula: is a group represented by the formula: R2 is a group represented by the formula: R3 and R4 are each H, or C1-C6 alkyl, C3-C6 cycloalkyl, C1-C6 alkoxy, C1-C6 alkylamino, di(C1-C6)alkylamino or C1-C6 alkylthio, each of which is optionally substituted; and R5 is H, or C1-C6 alkyl, C2-C6 alkenyl, cyclic group, each of which is optionally substituted, —CO—R8 or —O—R8′, or a salt thereof. The compound of the present invention is useful as a drug for the prophylaxis or treatment of circulatory diseases, metabolic diseases and/or central nervous system diseases.

  化合物的化学式为(I)，其中R1为氧代基，═N—R或类似基团；式中的基团表示为：其中R2为式中的基团；R3和R4分别为H，或C1-C6烷基，C3-C6环烷基，C1-C6烷氧基，C1-C6烷基氨基，二(C1-C6)烷基氨基或C1-C6烷基硫基，每个基团均可选地被取代；R5为H，或C1-C6烷基，C2-C6烯基，环状基团，每个基团均可选地被取代，—CO—R8或—O—R8′，或其盐。本发明的化合物可用作预防或治疗循环系统疾病、代谢性疾病和/或中枢神经系统疾病的药物。
• HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：Kuroita Takanobu

  公开号：US20100137281A1

  公开（公告）日：2010-06-03

  The present invention aims to provide a compound having superior pharmacological action, physicochemical properties and the like, which is useful for the prophylaxis or treatment s of circulatory diseases such as hypertension, cardiac diseases, arteriosclerosis, renal diseases, cerebral apoplexy and the like and/or metabolic diseases such as hyperlipidemia, obesity, diabetes and the like, central nervous disorders such as cerebral infarction and the like, mental diseases such as dementia, depression and the like, and the like. A compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明旨在提供一种具有优异的药理作用、物理化学性质等的化合物，该化合物对预防或治疗循环系统疾病，如高血压、心脏疾病、动脉硬化、肾脏疾病、脑卒中等，和/或代谢性疾病，如高脂血症、肥胖、糖尿病等，中枢神经系统疾病，如脑梗死等，精神疾病，如痴呆、抑郁症等，等方面具有用途。该化合物由式（I）所表示，其中每个符号如规范中所定义，或其盐。