1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(1,3-benzodioxol-5-yl)methyl]-4-acetylpiperazine-2-acetamide | 447441-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-[(1,3-benzodioxol-5-yl)methyl]-4-acetylpiperazine-2-acetamide
• 英文别名: 4-(acetyl)-N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-2-piperazineacetamide；2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
• CAS: 447441-46-5
• 化学式: C₂₃H₂₅N₇O₄
• 分子量: 463.496
• InChiKey: HJZJKRIOLQAAGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• [EN] NOVEL IN-VIVO PROBE FOR REAL TIME LONGITUDINAL MONITORING OF INDUCIBLE NITRIC-OXIDE SYNTHASE IN LIVING CELLS AND ANIMALS<br/>[FR] NOUVELLE SONDE IN VIVO POUR LA SURVEILLANCE LONGITUDINALE EN TEMPS RÉEL DE L'OXYDE NITRIQUE SYNTHASE INDUCTIBLE DANS DES CELLULES VIVANTES ET DES ANIMAUX VIVANTS
  申请人：PANDA KOUSTUBH

  公开号：WO2018092034A1

  公开（公告）日：2018-05-24

  The present disclosure relates to an in vivo fluorescent or radioactive probe represented by a compound of formula I which is capable of longitudinal imaging of inducible nitric oxide synthase (iNOS) expression in living cells and living animals on a real time basis. The probe of the present disclosure can exhibit specific and high affinity binding to the iNOS enzyme with reduced enzyme inhibitory property and also enables longitudinal monitoring of iNOS expression along with its activity or NO production in a same experimental subject throughout the progression of a physiological or disease process without employing separate subjects as controls and experimental. The present disclosure further provides a rapid and inexpensive real time method for visualizing iNOS expression and its activity in living cells and living animals precisely, conveniently and reversibly along with simultaneous in vivo imaging of its catalytic product, nitric oxide (NO) in live physiological settings.

  本公开涉及一种由式I化合物表示的体内荧光或放射性探针，该探针能够在实时基础上对诱导型一氧化氮合酶（iNOS）在活细胞和活体动物中的表达进行纵向成像。本公开的探针可以具有对iNOS酶的特异性和高亲和力结合，并且降低了酶的抑制性质，还能够在同一实验对象的生理或疾病过程的进展中纵向监测iNOS的表达以及其活性或一氧化氮（NO）的产生，而无需使用单独的对照和实验对象。本公开还提供了一种快速、廉价的实时方法，用于准确、方便和可逆地在活细胞和活体动物中可视化iNOS的表达和活性，同时还能在活体生理环境中同时成像其催化产物一氧化氮（NO）。
• N-heterocyclic derivatives as NOS inhibitors
  申请人：Berlex Laboratories, Inc.

  公开号：US20020183323A1

  公开（公告）日：2002-12-05

  N-Heterocyclic derivatives of the formula (I): 1 are described herein, as well as other N-heterocycles, as inhibitors of nitric oxide synthase. Pharmaceutical compositions containing these compounds, methods of using these compounds as inhibitors of nitric oxide synthase and processes for synthesizing these compounds are also described herein.

  本文描述了公式（I）中的N-杂环衍生物1，以及其他N-杂环，作为一氧化氮合酶的抑制剂。本文还描述了含有这些化合物的制药组合物，使用这些化合物作为一氧化氮合酶抑制剂的方法，以及合成这些化合物的过程。
• N-Heterocyclic derivatives as nos inhibitors
  申请人：Berlex, Inc.

  公开号：EP1754703A2

  公开（公告）日：2007-02-21

  N-Heterocyclic derivatives of formula (I) are described herein, as well as other N-Heterocycles, as inhibitors of nitric oxide synthase. Pharmaceutical compositions containing these compounds, methods of using these compounds as inhibitors of nitric oxide synthase and processes for synthesizing these compounds are also described herein.

  本文描述了作为一氧化氮合酶抑制剂的式 (I) N-杂环衍生物以及其他 N-杂环。本文还描述了含有这些化合物的药物组合物、使用这些化合物作为一氧化氮合酶抑制剂的方法以及合成这些化合物的工艺。
• N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS
  申请人：Berlex Laboratories, Inc.

  公开号：EP0968206B1

  公开（公告）日：2006-11-15
• NOVEL IN-VIVO PROBE FOR REAL TIME LONGITUDINAL MONITORING OF INDUCIBLE NITRIC-OXIDE SYNTHASE IN LIVING CELLS AND ANIMALS
  申请人：Panda Koustubh

  公开号：US20190309169A1

  公开（公告）日：2019-10-10

  The present disclosure relates to an in vivo fluorescent or radioactive probe represented by a compound of formula I which is capable of longitudinal imaging of inducible nitric oxide synthase (iNOS) expression in living cells and living animals on a real time basis. The probe of the present disclosure can exhibit specific and high affinity binding to the iNOS enzyme with reduced enzyme inhibitory property and also enables longitudinal monitoring of iNOS expression along with its activity or NO production in a same experimental subject throughout the progression of a physiological or disease process without employing separate subjects as controls and experimental. The present disclosure further provides a rapid and inexpensive real time method for visualizing iNOS expression and its activity in living cells and living animals precisely, conveniently and reversibly along with simultaneous in vivo imaging of its catalytic product, nitric oxide (NO) in live physiological settings.