Rec 0/0232 | 139644-60-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Rec 0/0232
• 英文别名: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-4-ylamine；4-amino-6,7-dimethoxy-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)quinazoline；2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinazolin-4-ylamine；2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazolin-4-amine
• CAS: 139644-60-3
• 化学式: C₂₁H₂₄N₄O₄
• 分子量: 396.446
• InChiKey: RQCHWAFNIYJAAP-UHFFFAOYSA-N

物化性质

• 沸点：
  626.8±65.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6,7-二甲氧基-1,2,3,4-四氢异喹啉 、 2-氯-4-氨基-6,7-二甲氧基喹唑啉 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 Rec 0/0232
  参考文献：
  名称：

  2 (OR 4) Amino 4 (or 2) N-hetero quinazolines

  摘要：

  已制备一系列新颖的2-氨基和4-氨基喹唑啉衍生物，包括它们的酸加成盐。这些衍生物都在分子的4-或2-位置具有一个含氮苯融合杂环环基，该环基通过氮原子连接到上述喹唑啉核。这些化合物在治疗中具有高效的降压剂作用。详细描述了它们的制备方法，包括通往所需新颖中间体的各种合成途径。

  公开号：

  US03960861A1

文献信息

• 2 (OR 4) Amino 4 (or 2) N-hetero quinazolines
  申请人：Pfizer Inc.

  公开号：US03960861A1

  公开（公告）日：1976-06-01

  A series of novel 2-amino and 4-aminoquinazoline derivatives have been prepared, including their acid addition salts. These derivatives all possess a single nitrogen-containing benzo-fused heterocyclic ring moiety at either the 4- or 2- positions of the molecule, respectively, with the ring moiety being attached through the nitrogen atom to the aforesaid quinazoline nucleus. Such compounds are useful in therapy as highly potent antihypertensive agents. Methods for their preparation are described in detail, including various synthetic routes leading to the required novel intermediates.

  已制备一系列新颖的2-氨基和4-氨基喹唑啉衍生物，包括它们的酸加成盐。这些衍生物都在分子的4-或2-位置具有一个含氮苯融合杂环环基，该环基通过氮原子连接到上述喹唑啉核。这些化合物在治疗中具有高效的降压剂作用。详细描述了它们的制备方法，包括通往所需新颖中间体的各种合成途径。
• METHODS AND COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES USING MODULATORS OF PHOSPHOGLYCERATE KINASE 1 (PGK1) ACTIVITY
  申请人：UNIVERSITY OF IOWA RESEARCH FOUNDATION

  公开号：US20220000871A1

  公开（公告）日：2022-01-06

  Disclosed are methods and compositions for treating and/or preventing neurodegenerative diseases or disorders in a subject in need thereof. The methods may include administering to the subject a pharmaceutical composition comprising an effective amount of a therapeutic agent that binds and/or activates phosphoglycerate kinase 1 (PGK1). Neurodegenerative diseases or disorders treated by the disclosed methods may include Parkinson's disease (PD), Alzheimer's disease (AD), Huntington's disease (HD), amyotrophic lateral sclerosis (ALS), and/or Lewy body dementia.
• Synthesis, Pharmacological Evaluation, and Structure−Activity Relationship and Quantitative Structure−Activity Relationship Studies on Novel Derivatives of 2,4-Diamino-6,7-dimethoxyquinazoline α₁-Adrenoceptor Antagonists
  作者：Amedeo Leonardi、Gianni Motta、Carlo Boi、Rodolfo Testa、Elena Poggesi、Pier G. De Benedetti、M. Cristina Menziani

  DOI：10.1021/jm9805337

  日期：1999.2.1

  A new series of novel piperazine and non-piperazine derivatives of 2,4-diamino-6,7-dimethoxyquinazoline was synthesized and evaluated for binding affinity toward alpha(1)-adrenergic and other G-protein-coupled aminergic receptors. The alpha(1)-adrenoceptor (AR) subtype selectivity was also investigated for the most interesting compounds. Only compound 16 showed moderate selectivity toward the alpha(1b)-AR subtype. Selected compounds were tested in vivo in a dog model indicating activity on blood pressure and on the lower urinary tract. Compound 10 showed in vivo potency close to that of prazosin. Powerful interpretative and predictive theoretical QSAR models have been obtained. The theoretical descriptors employed in the rationalization of the alpha(1)-adrenergic binding affinity depict the key features for receptor binding which can be summarized in an electrostatic interaction between the protonated amine function and a primary nucleophilic site of the receptor, complemented by short-range attractive (polar and dispersive) and repulsive (steric) intermolecular interactions. Moreover, on predictive grounds, the ad hoc derived size and shape QSAR model developed in a previous paper (Rastelli, G.; et al. J. Mol. Struct. 1991, 251, 307-318) proved to be successful in predicting nanomolar alpha(1)-adrenergic binding affinity for compound 28.