2-环丙基-6,7-二甲氧基-4-(4-(2-甲氧基苯基)哌嗪-1-基)喹唑啉 | 1448895-09-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-环丙基-6,7-二甲氧基-4-(4-(2-甲氧基苯基)哌嗪-1-基)喹唑啉
• 英文名称: 2-cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline
• 英文别名: ML314；2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
• CAS: 1448895-09-7
• 化学式: C₂₄H₂₈N₄O₃
• 分子量: 420.511
• InChiKey: SWEOAXMICIJCQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  60
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-环丙基-6,7-二甲氧基-4-(4-(2-甲氧基苯基)哌嗪-1-基)喹唑啉 、 2-氨基-4,5-二甲氧基苯甲酸甲酯 、 异丁腈 以 盐酸1,4-二恶烷 为溶剂， 以2-isopropyl-6,7-dimethoxyquinazolin-4-ol (307e) was obtained as an off-white solid (0.187 g, 16%)的产率得到2-isopropyl-6,7-dimethoxyquinazolin-4-ol
  参考文献：
  名称：

  SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1

  摘要：

  本文提供了小分子神经肽T受体激动剂，包括这些化合物的组合物和使用这些化合物和组合物的方法。

  公开号：

  US20150329497A1
• 作为产物：
  描述：

  2-氨基-4,5-二甲氧基苯甲酸甲酯 在 盐酸 、 potassium carbonate 、 三氯氧磷 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.5h， 生成 2-环丙基-6,7-二甲氧基-4-(4-(2-甲氧基苯基)哌嗪-1-基)喹唑啉
  参考文献：
  名称：

  [EN] SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1
  [FR] AGONISTES À PETITES MOLÉCULES DE RÉCEPTEUR DE NEUROTENSINE 1

  摘要：

  提供的是小分子神经降压素受体激动剂，包含这些化合物的组合物，以及使用这些化合物和包含这些化合物的组合物的方法。

  公开号：

  WO2014100501A1

文献信息

• [EN] NEUROTENSIN RECEPTOR BINDING CONJUGATES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS DE LIAISON AU RÉCEPTEUR DE LA NEUROTENSINE ET FORMULATIONS ASSOCIÉES
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2017180834A1

  公开（公告）日：2017-10-19

  Conjugates of an active agent attached to a neurotensin receptor-binding targeting moiety via a linker have been designed. Nanoparticles and microparticles comprising such conjugates can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or other diseases.

  已设计出将活性剂与神经肽受体结合靶向基团通过连接剂连接的共轭物。包含这种共轭物的纳米颗粒和微粒可以提供改善活性剂的时间空间传递和/或改善生物分布的效果。提供了制备这些共轭物、颗粒和其配方的方法。提供了将这些配方用于治疗或预防癌症或其他疾病的方法，例如向需要的受试者施用这些配方的方法。
• Discovery of ML314, a Brain Penetrant Nonpeptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor
  作者：Satyamaheshwar Peddibhotla、Michael P. Hedrick、Paul Hershberger、Patrick R. Maloney、Yujie Li、Monika Milewski、Palak Gosalia、Wilson Gray、Alka Mehta、Eliot Sugarman、Becky Hood、Eigo Suyama、Kevin Nguyen、Susanne Heynen-Genel、Stefan Vasile、Sumeet Salaniwal、Derek Stonich、Ying Su、Arianna Mangravita-Novo、Michael Vicchiarelli、Gregory P. Roth、Layton H. Smith、Thomas D. Y. Chung、Glen R. Hanson、James B. Thomas、Marc G. Caron、Lawrence S. Barak、Anthony B. Pinkerton

  DOI：10.1021/ml400176n

  日期：2013.9.12

  The neurotensin 1 receptor (NTR1) is an important therapeutic target for a range of disease states including addiction. A high-throughput screening campaign, followed by medicinal chemistry optimization, led to the discovery of a nonpeptidic beta-arrestin biased agonist for NTR1. The lead compound, 2-cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)-piperazin-1-yl)quinazoline, 32 (ML314), exhibits full agonist behavior against NTR1 (EC50 = 2.0 mu M) in the primary assay and selectivity against NTR2. The effect of 32 is blocked by the NTR1 antagonist SR142948A in a dose-dependent manner. Unlike peptide-based NTR1 agonists, compound 32 has no significant response in a Ca2+ mobilization assay and is thus a biased agonist that activates the beta-arrestin pathway rather than the traditional G(q) coupled pathway. This bias has distinct biochemical and functional consequences that may lead to physiological advantages. Compound 32 displays good brain penetration in rodents, and studies examining its in vivo properties are underway.
• NEUROTENSIN RECEPTOR BINDING CONJUGATES AND FORMULATIONS THEREOF
  申请人：Tarveda Therapeutics, Inc.

  公开号：EP3442592A1

  公开（公告）日：2019-02-20
• TARGETED CONSTRUCTS AND FORMULATIONS THEREOF
  申请人：TARVEDA THERAPEUTICS, INC.

  公开号：US20180296685A1

  公开（公告）日：2018-10-18

  Targeted constructs and pharmaceutical formulations thereof, comprising at least one conjugate of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via an internal linker moiety have been designed which can provide improved temporospatial delivery of the active agent and/or improved biodistribution. The internal linker may comprise a silicon-heteroatom core. Methods of making the targeted constructs and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.
• US9868707B2
  申请人：——

  公开号：US9868707B2

  公开（公告）日：2018-01-16