4-氨基-N-噻吩-2-甲基苯甲酰胺 | 436095-49-7

• 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: 4-氨基-N-噻吩-2-甲基苯甲酰胺
• 中文别名: 4-氨基-N-(2-噻吩基甲基)苯甲酰胺；苯甲酰胺-1,4-氨基-N-(2-噻吩基甲基)-
• 英文名称: 4-amino-N-[(thiophen-2-yl)methyl]benzamide
• 英文别名: 4-amino-N-(thiophen-2-ylmethyl)benzamide
• CAS: 436095-49-7
• 化学式: C₁₂H₁₂N₂OS
• mdl: MFCD04035387
• 分子量: 232.306
• InChiKey: DRESFVGIWUNALR-UHFFFAOYSA-N

物化性质

• 密度：
  1.274

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  83.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-Chloro-1-isopropylquinoxalin-2(1H)-one 、 4-氨基-N-噻吩-2-甲基苯甲酰胺 以 乙腈 为溶剂， 生成 4-(4-Isopropyl-3-oxo-3,4-dihydro-quinoxalin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
  参考文献：
  名称：

  Synthesis and evaluation of 3-anilino-quinoxalinones as glycogen phosphorylase inhibitors

  摘要：

  A series of 3-anilino-quinoxalinones has been identified as a new class of glycogen phosphorylase inhibitors. The lead compound I was identified through high throughput screening as well as through pharmacophore-based electronic screening. Modifications were made to the scaffold of 1 to produce novel analogues, some of which are 25 times more potent than the lead compound. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.021

文献信息

• Quinoxalinones
  申请人：Beavers Pat Mary

  公开号：US20050148586A1

  公开（公告）日：2005-07-07

  The invention features quinoxalinones, pharmaceutical compositions containing them and methods of using them to treat, for example, diabetes.

  这项发明涉及喹喔啉酮，包含它们的药物组合物以及使用它们治疗糖尿病等疾病的方法。
• High‐Throughput Platform for Novel Reaction Discovery
  作者：Xiao Lu、Zhiji Luo、Ruili Huang、Donald C. Lo、Wenwei Huang

  DOI：10.1002/chem.202201421

  日期：2022.9.6

  simple technique that can rapidly isolate reaction products with excellent purity by solid-phase extraction. This unique technique enabled us to develop a high-throughput reaction discovery platform. The effectiveness of this strategy was demonstrated by one newly discovered transformation, which shed light on the laboratory-scale discovery of new reactions.

  提取、分离和发现：我们设计了一种简单的技术，可以通过固相萃取快速分离出纯度优异的反应产物。这种独特的技术使我们能够开发出高通量反应发现平台。一项新发现的转化证明了这一策略的有效性，该转化为实验室规模的新反应发现提供了线索。
• (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1711184A1

  公开（公告）日：2006-10-18
• [EN] (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY<br/>[FR] DERIVES DE (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE ET COMPOSES AFFERENTS COMME INHIBITEURS DE LA GLYCOGENE PHOSPHORYLASE DANS LE TRAITEMENT DU DIABETE ET DE L'OBESITE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005067932A1

  公开（公告）日：2005-07-28

  The invention features pharmaceutically active quinoxalinones of formula (1), compositions containing them, and methods of making and using theme: Formula (I) wherein R1 is H, C 1-6 alkyl, or halo; R2 is H or halo; R3 is H, C 1-6 alkyl, X is N or CH; Y is a covalent bond, -NHCO- or -CONH-; Z is phenyl or a 5 or 6-membered heterocyclyl with between l and 2 heteroatoms independently selected from N, O, and S; and n is 0, 1 or 2; or a pharmaceutically acceptable salt, ester, amide, hydrate, or solvate thereof; as well as their use as glycogen phosphorylase inhibitors for the treatment of i diabetes and obesity.
• Synthesis and evaluation of 3-anilino-quinoxalinones as glycogen phosphorylase inhibitors
  作者：Joseph Dudash、Yongzheng Zhang、John B. Moore、Richard Look、Yin Liang、Mary Pat Beavers、Bruce R. Conway、Philip J. Rybczynski、Keith T. Demarest

  DOI：10.1016/j.bmcl.2005.07.021

  日期：2005.11

  A series of 3-anilino-quinoxalinones has been identified as a new class of glycogen phosphorylase inhibitors. The lead compound I was identified through high throughput screening as well as through pharmacophore-based electronic screening. Modifications were made to the scaffold of 1 to produce novel analogues, some of which are 25 times more potent than the lead compound. (c) 2005 Elsevier Ltd. All rights reserved.