[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-piperazin-1-yl]-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone | 1146617-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-piperazin-1-yl]-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone
• 英文别名: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
• CAS: 1146617-36-8
• 化学式: C₂₉H₂₈N₄O₃
• 分子量: 480.566
• InChiKey: NMVCZFWFTPXLFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  67.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (6-methyl-2-pyridin-4-yl-quinolin-4-yl)-piperazin-1-yl-methanone 、 1,4-苯并二恶烷-6-甲醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以45%的产率得到[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-piperazin-1-yl]-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone
  参考文献：
  名称：

  ARYL AMIDE COMPOUND AS AN ACETYL COENZYME A CARBOXYLASE INHIBITOR

  摘要：

  公开了一种化合物Formula (I)的芳基酰胺，或其药用可接受形式。该化合物是ACC抑制剂，因此在治疗ACC介导的疾病方面具有用途。

  公开号：

  US20100113473A1

文献信息

• Aryl amide compound as an acetyl coenzyme A carboxylase inhibitor
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2189458A1

  公开（公告）日：2010-05-26

  An aryl amide compound of Formula (I): or a pharmaceutically acceptable form thereof is disclosed. The compound is an ACC inhibitor and therefore useful in treating an ACC-mediated condition.

  揭示了化学式（I）的芳基酰胺化合物或其药用可接受形式。该化合物是一种ACC抑制剂，因此在治疗ACC介导的疾病方面具有用途。
• CRYSTAL STRUCTURE OF THE CARBOXYL TRANSFERASE DOMAIN OF HUMAN ACETYL-COA CARBOXYLASE 2 PROTEIN (ACC2 CT) AND USES THEREOF
  申请人：Grasberger Bruce L.

  公开号：US20090155815A1

  公开（公告）日：2009-06-18

  A crystallized human ACC2 CT protein as well as a description of the X-ray diffraction pattern of the crystal are disclosed. The diffraction pattern allows the three dimensional structure of human ACC2 CT to be determined at atomic resolution so that ligand binding sites on human ACC2 CT can be identified and the interactions of ligands with human ACC2 CT amino acid residues can be modeled. Models prepared using such maps permit the design of ligands which can function as active agents which include, but are not limited to, those that function as inhibitors of human ACC2 and human ACC1 proteins.
• [EN] CRYSTAL STRUCTURE OF THE CARBOXYL TRANSFERASE DOMAIN OF HUMAN ACETYL-COA CARBOXYLASE 2 PROTEIN (ACC2 CT) AND USES THEREOF<br/>[FR] STRUCTURE CRISTALLINE DU DOMAINE CARBOXYLTRANSFÉRASE DE LA PROTÉINE ACÉTYL-COA CARBOXYLASE 2 (ACC2 CT) HUMAINE ET SES UTILISATIONS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009055682A1

  公开（公告）日：2009-04-30

  A crystallized human ACC2 CT protein as well as a description of the X-ray diffraction pattern of the crystal are disclosed. The diffraction pattern allows the three dimensional structure of human ACC2 CT to be determined at atomic resolution so that ligand binding sites on human ACC2 CT can be identified and the interactions of ligands with human ACC2 CT amino acid residues can be modeled. Models prepared using such maps permit the design of ligands which can function as active agents which include, but are not limited to, those that function as inhibitors of human ACC2 and human ACCl proteins.
• ARYL AMIDE COMPOUND AS AN ACETYL COENZYME A CARBOXYLASE INHIBITOR
  申请人：Player Mark R.

  公开号：US20100113473A1

  公开（公告）日：2010-05-06

  An aryl amide compound of Formula (I): or a pharmaceutically acceptable form thereof is disclosed. The compound is an ACC inhibitor and therefore useful in treating an ACC-mediated condition.

  公开了一种化合物Formula (I)的芳基酰胺，或其药用可接受形式。该化合物是ACC抑制剂，因此在治疗ACC介导的疾病方面具有用途。