苯酰胺,4-甲氧基-N,2-二甲基- | 153967-89-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯酰胺,4-甲氧基-N,2-二甲基-
• 英文名称: 4-methoxy-N,2-dimethylbenzamide
• 英文别名: 4-methoxy-2,N-dimethyl-benzamide；N-methyl-4-methoxy-2-methylbenzamide
• CAS: 153967-89-6
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: NNXGXNRNPOPJCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯酰胺,4-甲氧基-N,2-二甲基- 在 正丁基锂 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-Ethenylphenyl)-6-methoxy-2-methylisoquinolin-1-one
  参考文献：
  名称：

  A convenient synthesis of N-methyl-3-(2-ethenylphenyl)-1(2H)-isoquinolones, key models for the elaboration of the benzo[c]phenanthridinone and phenanthridine skeletons

  摘要：

  A variety of N-methyl-3-(2-ethenylphenyl)-1(2H)-isoquinolones 1a-e have been prepared by base-induced intramolecular cyclization of N-(2-ethenylbenzoyl)-N,2-dimethylbenzamide derivatives 2a-e. The concomitant formation of the fused dihydro benzo[c]phenanthridinones 7a-e was also observed during this process.

  DOI：

  10.1016/s0040-4039(00)61461-2
• 作为产物：
  描述：

  4-甲氧基-2-甲基苯甲酰氯 、 甲胺 以 四氢呋喃 为溶剂， 反应 0.25h， 以3.2 g的产率得到苯酰胺,4-甲氧基-N,2-二甲基-
  参考文献：
  名称：

  Optimization of isochromanone based urotensin II receptor agonists

  摘要：

  A series of novel isochromanone based urotensin II receptor agonists have been synthesized and evaluated for their activity using a functional cell based assay (R-SAT). Several potent and efficacious derivatives were identified with 3-(3,4-dichlorophenyl)-6,7-dimethyl-3-(2-dimethylaminoethyl) isochroman-1-one (28) being the most potent compound showing an EC50-value of 51 nM, thereby being the most potent compound so far within the isochromanone series. In addition, two other heterocyclic systems (isochromanes and tetrahydroisoquinolinones) were investigated and these derivatives were found to be both potent and efficacious. The activity of the isochromane derivatives implies that the carbonyl group of the isochromanone is not necessary for activity. Furthermore it was found that the geometry of the heterocycles was more important for receptor interaction than the composition of the heteroatoms present. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.041

文献信息

• Fused pyridine derivatives
  申请人：Eisai Co., Ltd.

  公开号：US06340759B1

  公开（公告）日：2002-01-22

  The present provides a condensed pyridine compound (I) represented by the following formula: (wherein, R2 represents ring A represents benzene ring, pyridine ring, thiophene ring or furan ring; and B represents its pharmaceutically acceptable salt or hydrates thereof, which is a clinically useful medicament having a serotonin antagonism, in particular, that for treating, ameliorating or preventing spastic paralysis or central muscle relaxants for ameliorating myotonia.

  目前提供了一种由以下公式表示的缩合吡啶化合物（I）： （其中，R2代表环A代表苯环、吡啶环、噻吩环或呋喃环；B代表其药学上可接受的盐或其水合物，是一种具有血清素拮抗作用的临床上有用的药物，特别用于治疗、改善或预防痉挛性麻痹或改善肌张力过高的中枢肌肉松弛剂。
• [EN] OPTIONALLY NITROGENATED ISOQUINOLIN-1(2H)-ONES AND 1H-ISOCHROMEN- 1-ONES FOR TREATING PAIN AND PAIN RELATED CONDITIONS<br/>[FR] ISOQUINOLIN-1(2H)-ONES ET 1H-ISOCHROMEN-1-ONES ÉVENTUELLEMENT AZOTÉS POUR LE TRAITEMENT DE LA DOULEUR ET D'ÉTATS PATHOLOGIQUES ASSOCIÉS À LA DOULEUR
  申请人：ESTEVE PHARMACEUTICALS SA

  公开号：WO2020089263A1

  公开（公告）日：2020-05-07

  The present invention relates to new compounds that show pharmacological activity towards the subunit α28 of voltage-gated calcium channels (VGCC), especially the α28 1 subunit of voltage-gated calcium channels or dual activity towards the subunit α28 of voltage-gated calcium channels (VGCC), especially the α28-1 subunit of voltage-gated calcium channels, and the μ-opiod receptor (MOR or mu-opioid). The invention is also related to the process for the preparation of said compounds as well as to compositions comprising them, and to their use as medicaments.

  本发明涉及对电压门控钙通道（VGCC）的α28亚基具有药理活性的新化合物，特别是对电压门控钙通道的α28 1亚基或对电压门控钙通道的α28亚基和μ-阿片受体（MOR或μ-阿片）具有双重活性的新化合物。该发明还涉及所述化合物的制备方法，以及包含它们的组合物和它们作为药物的用途。
• Certain 1,3-disubstituted isoquinoline derivatives
  申请人：Eisai Co., Ltd.

  公开号：US20040204421A1

  公开（公告）日：2004-10-14

  Condensed pyridine compounds represented by formula (I): 1 wherein: R 1 and R 3 are, independently, hydrogen, halogen, lower alkyl, or lower alkoxy; R 2 represents an amino substituent; ring A is a benzene ring, pyridine ring, thiophene ring, or furan ring; and B represents a substituent containing a ring structure. Also, pharmaceutically acceptable salt and hydrates thereof. These compounds are clinically useful medicaments having serotonin antagonism, and in particular, for treating, ameliorating, or preventing spastic paralysis. They are also useful as central muscle relaxants for ameliorating myotonia.

  公式（I）表示的浓缩吡啶化合物：1其中：R1和R3独立地表示氢、卤素、较低的烷基或较低的烷氧基；R2表示氨基取代基；环A是苯环、吡啶环、噻吩环或呋喃环；B表示含有环结构的取代基。此外，还包括其药学上可接受的盐和水合物。这些化合物是具有血清素拮抗作用的临床有用药物，特别是用于治疗、改善或预防痉挛性瘫痪。它们还可用作中枢肌肉松弛剂，以改善肌强直。
• Condensed pyridine compound
  申请人：Eisai Co., Ltd

  公开号：US20020013460A1

  公开（公告）日：2002-01-31

  The present provides a condensed pyridine compound (I) represented by the following formula: 1 ring A represents benzene ring, pyridine ring, thiophene ring or furan ring; and B represents 2 its pharmaceutically acceptable salt or hydrates thereof, which isa clinically useful medicament having a serotonin antagonism, in particular, that for treating, ameliorating or preventing spastic paralysis or central muscle relaxants for ameliorating myotonia.

  目前提供了一种由以下公式表示的缩合吡啶化合物（I）： 1环A代表苯环、吡啶环、噻吩环或呋喃环；和 B代表其药学上可接受的盐或其水合物，是一种临床上有用的药物，具有5-羟色胺拮抗作用，特别是用于治疗、改善或预防痉挛性瘫痪或中枢肌肉松弛剂，以改善肌强直症。
• FUSED PYRIDINE DERIVATIVES
  申请人：Eisai Co., Ltd.

  公开号：EP1020445A1

  公开（公告）日：2000-07-19

  Clinically highly useful drugs having an antagonism to serotonin, in particular, central muscle relaxing drugs for treating, ameliorating or preventing spastic paralysis or ameliorating myotonia and comprising fused pyridine derivatives represented by general formula (I), pharmacologically acceptable salts thereof or hydrates of either (I) or (1), wherein the ring A represents a benzene, pyridine, thiophene or furan ring; and B represents (2).

  具有血清素拮抗作用的临床高效药物，特别是用于治疗、改善或预防痉挛性瘫痪或改善肌张力障碍的中枢性肌肉松弛药物，包括通式（I）代表的融合吡啶衍生物、其药理学上可接受的盐或(I)或(1)的水合物，其中环A代表苯环、吡啶环、噻吩环或呋喃环；B代表(2)。