5-(3-bromophenyl)-5,11-dihydro-1,3-dimethyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione | 325746-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 5-(3-bromophenyl)-5,11-dihydro-1,3-dimethyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
• 英文别名: 5-(3-bromophenyl)-1,3-dimethyl-5,11-dihydro-1H-indeno-[2',1:5,6]pyrido[2,3-d]pyrimidine-2,3,6-trione；BPIPP；2-(3-bromophenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
• CAS: 325746-94-9
• 化学式: C₂₂H₁₆BrN₃O₃
• 分子量: 450.291
• InChiKey: QSZKQDDYOLAPII-UHFFFAOYSA-N

物化性质

• 熔点：
  >250°C (dec.)
• 沸点：
  619.3±65.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-茚满二酮 、 1,3-二甲基-6-氨基脲嘧啶 、 间溴苯甲醛 在 溶剂黄146 作用下， 反应 8.0h， 以70%的产率得到5-(3-bromophenyl)-5,11-dihydro-1,3-dimethyl-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
  参考文献：
  名称：

  新型吡啶并嘧啶衍生物作为稳定毒素a（STa）诱导的cGMP合成的抑制剂

  摘要：

  合成了一系列吡啶并嘧啶衍生物，并在稳定的大肠杆菌毒素a的存在下评估了它们抑制环状核苷酸合成的能力。检查了围绕基本核心结构的结构活性关系，并给出了具有更好活性和潜在更好药理特性的例子。

  DOI：

  10.1016/j.bmcl.2009.04.024

文献信息

• METHODS OF TREATING HYPERTENSION WITH ACTIVATORS OF TIE-2
  申请人：EyePoint Pharmaceuticals, Inc.

  公开号：EP3956021A1

  公开（公告）日：2022-02-23
• Inhibitors of Cyclic Nucleotide Synthesis and Their Use for Therapy of Various Diseases
  申请人：Guerrant Richard L.

  公开号：US20100035867A1

  公开（公告）日：2010-02-11

  We disclose a method of inhibiting activity of adenylyl cyclase or guanylyl cyclase in a mammal by administering to the mammal an amount of a composition effective to inhibit the activity, wherein the composition contains at least one compound selected from the group consisting of structural formulae (Ia) and (Ib) and salts thereof, wherein R1 is —H or has the structure —C(═O)R8; R2 is ═O or has the structure —OC(═O)R9; and R3, R4, R5, R6, and R7 are each independently selected from the group consisting of —H, —NO 2 , formula (I), -halogen, —OC(═O)R9, —OR9, —OH, —R8OH, —CH 3 , —OC(═O)CH 2 Ph, formulae (II), (III), (IV), —OPh, —CF 3 , —R8, —C(═O)OR9, -Ph, —R8Ph, formulae (V), (VI), (VII), (VIII), (IX), (X), (XI), (XII), (XIII), (XIV), (XV), (XVI), (XVII), (XVIII), (XIX), (XX), and (XXI), wherein each R8 is independently a linear or branched hydrocarbon group having from 1 to 4 carbon atoms and each R9 is independently a hydrocarbon group having from 1 to 2 carbon atoms. Administering the composition can be used to treat a disease in a mammal mediated by activity of adenylyl cyclase or guanylyl cyclase and effected by a toxin produced by a pathogenic organism or to reduce cyclic AMP or cyclic GMP levels in a mammal in need of reduction thereof. The composition can also be administered to mammalian cells in vitro. The above methods of inhibiting activity of adenylyl cyclase or guanylyl cyclase and treating diseases via such inhibition can be effective without prolonged treatment, have reversible effects, have low or no toxicity, are highly potent, are unlikely to have side effects, do not act on purinergic receptors, or can negate pathogenic toxins independently of whether the pathogenic organism survives.
• CELL LINES EXPRESSING GUANYLATE CYCLASE-C AND METHODS OF USING THEM
  申请人：Shekdar Kambiz

  公开号：US20120028278A1

  公开（公告）日：2012-02-02

  Cell lines that stably express GC-C and methods for using those cell lines are disclosed herein. The invention includes cell lines that express GC-C and techniques for creating cell lines. The GC-C-expressing cell lines are highly sensitive, physiologically relevant and produce consistent results in cell-based assays, e.g., high throughput screening assays.
• Elimination of chronic pain by chronic activation of adenosine receptor type A1 in peripheral sensory neurons
  申请人：University of Rochester

  公开号：US20200276312A1

  公开（公告）日：2020-09-03

  The present invention provides compositions and methods for treating chronic pain.
• [EN] METHODS OF TREATING HYPERTENSION WITH ACTIVATORS OF TIE-2<br/>[FR] MÉTHODE DE TRAITEMENT DE L'HYPERTENSION AVEC DES ACTIVATEURS DE TIE-2
  申请人：AERPIO PHARMACEUTICALS INC

  公开号：WO2020214851A1

  公开（公告）日：2020-10-22

  Disclosed herein are methods for treating hypertension, pulmonary hypertension, and associated conditions using activators of Tie-2 and inhibitors of HPTPβ. The methods include decreasing systolic blood pressure, decreasing diastolic blood pressure, decreasing mean arterial pressure, and modulating vascularization in the lungs.