N,2,5-三甲基苯甲酰胺 | 60034-93-7

• 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: N,2,5-三甲基苯甲酰胺
• 英文名称: 2,5-dimethyl-N-methylbenzamide
• 英文别名: 2,5,N-trimethylbenzamide；N,2,5-trimethylbenzamide；2,5,N-trimethyl benzamide；2,5-Dimethylbenzoesaeuremethylamid
• CAS: 60034-93-7
• 化学式: C₁₀H₁₃NO
• mdl: MFCD06093543
• 分子量: 163.219
• InChiKey: XAQOUUIPHMXXOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N,2,5-三甲基苯甲酰胺 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 49.0h， 生成 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-7-methyl-isochroman-1-one hydrochloride
  参考文献：
  名称：

  Isochromanone-based urotensin-II receptor agonists

  摘要：

  A series of analogues of the selective non-peptide urotensin II (UII) receptor agonist 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-isochroman- 1-one (AC-7954, 1) was synthesized and evaluated for UII agonist activity using a functional cell-based assay. The introduction of a methyl group in the 4-position resulted in a complete loss of activity, whereas substituents in the aromatic rings were beneficial. Sterically demanding amino groups were also detrimental to the activity. Several potent agonists were identified, six compounds being equally or more potent than 1. The most potent compound in the series was the 6,7-dimethyl analogue of 1 (16, pEC(50) 6.87). The racemate of 16 was resolved into the pure enantiomers using preparative straight phase HPLC. It was shown that the potency resides in the (+)-enantiomer (pEC(50) 7.11). The synthesized compounds seem to be selective for the UII receptor as no activities were observed at the closely related SSTR3 and 5 receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.056
• 作为产物：
  描述：

  2,5-二甲基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.33h， 生成 N,2,5-三甲基苯甲酰胺
  参考文献：
  名称：

  Isochromanone-based urotensin-II receptor agonists

  摘要：

  A series of analogues of the selective non-peptide urotensin II (UII) receptor agonist 3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)-isochroman- 1-one (AC-7954, 1) was synthesized and evaluated for UII agonist activity using a functional cell-based assay. The introduction of a methyl group in the 4-position resulted in a complete loss of activity, whereas substituents in the aromatic rings were beneficial. Sterically demanding amino groups were also detrimental to the activity. Several potent agonists were identified, six compounds being equally or more potent than 1. The most potent compound in the series was the 6,7-dimethyl analogue of 1 (16, pEC(50) 6.87). The racemate of 16 was resolved into the pure enantiomers using preparative straight phase HPLC. It was shown that the potency resides in the (+)-enantiomer (pEC(50) 7.11). The synthesized compounds seem to be selective for the UII receptor as no activities were observed at the closely related SSTR3 and 5 receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.056

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] UROTENSIN II RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RECEPTEUR DE L'UROTENSINE II
  申请人：ACADIA PHARM INC

  公开号：WO2003104216A1

  公开（公告）日：2003-12-18

  Disclosed are compounds of Formula I, or salts or prodrugs thereof, complexed with a human urotensin II receptor as defined herein. Also disclosed are compounds of Formula II, or salts or prodrugs thereof, as defined herein. Also disclosed are methods of modulating the activity of a urotensin II receptor using a compound of Formula I, or a compound of Formula II, or salts or prodrugs thereof. In addition, methods of treating diseases related to the activity of urotensin II receptors are disclosed.

  本文披露了根据本文所定义的与人类尿嘧啶 II 受体形成络合物的 Formula I 化合物，或其盐或前药。还披露了根据本文所定义的 Formula II 化合物，或其盐或前药。还披露了使用 Formula I 化合物、Formula II 化合物、或其盐或前药来调节尿嘧啶 II 受体活性的方法。此外，还披露了治疗与尿嘧啶 II 受体活性相关疾病的方法。
• Manganese-Catalyzed Directed Methylation of C(sp²)–H Bonds at 25 °C with High Catalytic Turnover
  作者：Takenari Sato、Takumi Yoshida、Hamad H. Al Mamari、Laurean Ilies、Eiichi Nakamura

  DOI：10.1021/acs.orglett.7b02778

  日期：2017.10.6

  scope, using MeMgBr, a catalytic amount of MnCl2·2LiCl, and an organic dihalide oxidant. The reaction features ambient temperature, low catalyst loading, typically 1%, high catalytic turnover reaching 5.9 × 103, and no need for an extraneous ligand and illustrates a unique catalytic use of simple manganese salts for C–H activation, which so far has relied on catalysis by manganese carbonyls.

  我们在这里报告了使用MeMgBr，催化量的MnCl 2 ·2LiCl和有机二卤化物氧化剂进行的锰催化的CH甲基化反应，具有较大的底物范围。该反应具有环境温度，低催化剂负载（通常为1％），高催化转化率（达到5.9×10 3），不需要外来配体的特点，并说明了简单的锰盐在C–H活化中的独特催化用途，到目前为止，该反应已具有依赖于羰基锰的催化作用。
• 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。