(2-aminopyridin-3-yl)(3-methoxyphenyl)methanone | 167754-55-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-aminopyridin-3-yl)(3-methoxyphenyl)methanone
• 英文别名: 2-amino-3-(3-methoxybenzoyl)pyridine；(2-Amino-3-pyridinyl)(3-methoxyphenyl)methanone；(2-aminopyridin-3-yl)-(3-methoxyphenyl)methanone
• CAS: 167754-55-4
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: MUGGRWHCWNNWGY-UHFFFAOYSA-N

物化性质

• 熔点：
  107 °C
• 沸点：
  451.9±40.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-aminopyridin-3-yl)(3-methoxyphenyl)methanone 在 吡啶 、 sodium hydroxide 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[1-butyl-4-(3-methoxyphenyl)-1,2-dihydro-2-oxo-1,8-naphthyridin-3-yl]-N'-(2,6-diisopropylphenyl)urea
  参考文献：
  名称：

  Synthesis and structure–activity relationship studies on a novel series of naphthylidinoylureas as inhibitors of acyl-CoA:cholesterol O -acyltransferase (ACAT)

  摘要：

  The synthesis and structure-activity relationships of N-phenyl-N'-[3-(4-phenylnaphthylidinoyl)]urea derivatives 3 as a novel structural class of potent ACAT inhibitors is described. A 3-methoxy group substituted on the naphthylidinone 4-phenyl ring, together with a 1-N-(n)butyl substitution, SM-32504 (3m), gave a potent ACAT inhibitor, in vitro, respectively. The most potent compound, SM-32504 (3m), decreased the serum cholesterol level significantly in a high fat and high cholesterol-fed mouse model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.045
• 作为产物：
  描述：

  N-{3-[hydroxy(3-methoxyphenyl)methyl]pyridin-2-yl}pivalamide 在 盐酸 、 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 (2-aminopyridin-3-yl)(3-methoxyphenyl)methanone
  参考文献：
  名称：

  Synthesis and structure–activity relationship studies on a novel series of naphthylidinoylureas as inhibitors of acyl-CoA:cholesterol O -acyltransferase (ACAT)

  摘要：

  The synthesis and structure-activity relationships of N-phenyl-N'-[3-(4-phenylnaphthylidinoyl)]urea derivatives 3 as a novel structural class of potent ACAT inhibitors is described. A 3-methoxy group substituted on the naphthylidinone 4-phenyl ring, together with a 1-N-(n)butyl substitution, SM-32504 (3m), gave a potent ACAT inhibitor, in vitro, respectively. The most potent compound, SM-32504 (3m), decreased the serum cholesterol level significantly in a high fat and high cholesterol-fed mouse model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.045

文献信息

• Quinazolinone derivatives possessing calcium uptake inhibiting activity
  申请人：Sumitomo Pharmaceuticals Co., Ltd.

  公开号：US05556860A1

  公开（公告）日：1996-09-17

  This invention is to provide quinazolinone derivatives, and their acid salts and quaternary ammonium salts, having an effect of preventing or treating diseases caused by calcium ion overload in cells, such as ischemic heart disease, ischemic cerebral disease and ischemic renal disease, and their usage. The quinazolinone derivatives are represented by the formula: ##STR1## typically, T represents an oxygen atom; Y represents a phenyl or cyclohexyl group; R.sup.1 represents a hydrogen or chlorine atom; R.sup.2 represents a hydrogen atom; ring W represents a benzene or pyridine ring; Z represents a group of the formula: ##STR2##

  这项发明提供了喹唑啉酮衍生物及其酸盐和季铵盐，具有预防或治疗由细胞内钙离子超载引起的疾病的作用，如缺血性心脏病、缺血性脑病和缺血性肾病，以及它们的用途。喹唑啉酮衍生物由以下公式表示：##STR1##通常，T代表氧原子；Y代表苯基或环己基；R.sup.1代表氢原子或氯原子；R.sup.2代表氢原子；环W代表苯环或吡啶环；Z代表以下式的基团：##STR2##
• Quinazolinone derivatives
  申请人：SUMITOMO PHARMACEUTICALS COMPANY, LIMITED

  公开号：EP0626373A1

  公开（公告）日：1994-11-30

  This invention is to provide quinazolinone derivatives, and their acid salts and quaternary ammonium salts, having an effect of preventing or treating diseases caused by calcium ion overload in cells, such as ischemic heart disease, ischemic cerebral disease and ischemic renal disease, and their usage. The quinazolinone derivatives are represented by the formula: typically, T represents an oxygen atom; Y represents a phenyl or cyclohexyl group; R¹ represents a hydrogen or chlorine atom; R² represents a hydrogen atom; ring W represents a benzene or pyridine ring; Z represents a group of the formula:

  本发明旨在提供喹唑啉酮衍生物及其酸盐和季铵盐，具有预防或治疗细胞中钙离子超载引起的疾病，如缺血性心脏病、缺血性脑病和缺血性肾病的作用及其用途。喹唑啉酮衍生物由式表示： 通常，T 代表氧原子；Y 代表苯基或环己基；R¹ 代表氢原子或氯原子；R² 代表氢原子；环 W 代表苯环或吡啶环；Z 代表式中的基团：
• Synthesis of aza analogues of the anticancer agent batracylin
  作者：Carlos M. Martínez-Viturro、Domingo Domínguez

  DOI：10.1016/j.tetlet.2007.05.025

  日期：2007.7

  Three series of pyrido-fused pyrimido[2,1-a]isoindol-7-ones were prepared from readily available (aminopyridinyl)(aryl)methanones by reduction followed by a Mitsunobu reaction with phthalimide and acid-catalysed cyclodehydration. This approach provides a wide variety of aza analogues of the antitumour agent batracylin. (c) 2007 Elsevier Ltd. All rights reserved.
• US5556860A
  申请人：——

  公开号：US5556860A

  公开（公告）日：1996-09-17
• Synthesis and structure–activity relationship studies on a novel series of naphthylidinoylureas as inhibitors of acyl-CoA:cholesterol O -acyltransferase (ACAT)
  作者：Satoshi Ohnuma、Masami Muraoka、Katsuhisa Ioriya、Naohito Ohashi

  DOI：10.1016/j.bmcl.2003.12.045

  日期：2004.3

  The synthesis and structure-activity relationships of N-phenyl-N'-[3-(4-phenylnaphthylidinoyl)]urea derivatives 3 as a novel structural class of potent ACAT inhibitors is described. A 3-methoxy group substituted on the naphthylidinone 4-phenyl ring, together with a 1-N-(n)butyl substitution, SM-32504 (3m), gave a potent ACAT inhibitor, in vitro, respectively. The most potent compound, SM-32504 (3m), decreased the serum cholesterol level significantly in a high fat and high cholesterol-fed mouse model. (C) 2004 Elsevier Ltd. All rights reserved.