tert-butyl 2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate | 300552-47-0

• 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: tert-butyl 2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
• 英文别名: tert-butyl 2-phenyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate；2-phenyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid tert-butyl ester；2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
• CAS: 300552-47-0
• 化学式: C₁₈H₂₁N₃O₂
• mdl: MFCD22565654
• 分子量: 311.384
• InChiKey: JBEWNGNZAPPDDC-UHFFFAOYSA-N

物化性质

• 沸点：
  398.6±42.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.388
• 拓扑面积：
  55.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以256 mg (>100%)的产率得到2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine hydrochloride
  参考文献：
  名称：

  Sorbitol dehydrogenase inhibitors

  摘要：

  本发明涉及式I的山梨醇脱氢酶抑制化合物，其中R1、R2和R3如规范中定义。本发明还涉及含有这些化合物的药物组合物，以及通过向患有糖尿病且因此有发展这些并发症风险的哺乳动物投与这些化合物来治疗或预防糖尿病并发症，特别是糖尿病神经病变、糖尿病肾病、糖尿病微血管病、糖尿病大血管病和糖尿病心肌病。本发明还涉及一种含有本发明式I化合物与醛糖还原酶抑制剂的组合物的药物组合物，以及用于治疗或预防糖尿病并发症的方法。本发明还涉及一种含有本发明式I化合物与NHE-1抑制剂的组合物的药物组合物，以及用于治疗心肌病和其他相关心脏问题的方法。本发明还涉及合成式I化合物的某些中间体以及制备这些中间体的方法。

  公开号：

  US06414149B1
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 tert-butyl 2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
  参考文献：
  名称：

  EP3252059

  摘要：

  公开号：

文献信息

• [EN] AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS<br/>[FR] AMINOPYRIMIDINES COMME INHIBITEURS DE SORBITOL DESHYDROGENASE
  申请人：PFIZER PROD INC

  公开号：WO2000059510A1

  公开（公告）日：2000-10-12

  This invention is directed to sorbitol dehydrogenase inhibitory compounds of formula (I), wherein R?1, R2 and R3¿ are as defined in the specification. This invention is also directed to pharmaceutical compositions containing those compounds and methods of treating or preventing diabetic complications, particularly diabetic neuropathy, diabetic nephropathy, diabetic microangiopathy, diabetic macroangiopathy and diabetic cardiomyopathy by administering such compounds to a mammal suffering from diabetes and therefor at risk for developing such complications. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula (I) of this invention with an aldose reductase inhibitor and to methods of treating or preventing diabetic complications therewith. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula (I) of this invention with an NHE-1 inhibitor and to methods of treating cardiomyopathy and other heart-related problems therewith. This invention is also directed to certain intermediates used in the synthesis of the compounds of formula (I) and to processes for preparing those intermediates.

  本发明涉及式（I）的山梨醇脱氢酶抑制剂，其中R1、R2和R3在说明书中定义。本发明还涉及含有这些化合物的药物组合物，以及通过将这些化合物用于患有糖尿病并因此有患上这些并发症风险的哺乳动物进行治疗或预防糖尿病并发症，特别是糖尿病神经病变、糖尿病肾病、糖尿病微血管病、糖尿病大血管病和糖尿病心肌病的方法。本发明还涉及一种包含本发明式（I）化合物和醛还原酶抑制剂的药物组合物以及用于治疗或预防糖尿病并发症的方法。本发明还涉及一种包含本发明式（I）化合物和NHE-1抑制剂的药物组合物以及用于治疗心肌病和其他心脏相关问题的方法。本发明还涉及用于合成式（I）化合物的某些中间体以及制备这些中间体的方法。
• Sorbitol dehrydrogenase inhibitors
  申请人：Chu-Moyer Margaret Y.

  公开号：US06936600B2

  公开（公告）日：2005-08-30

  This invention is directed to sorbitol dehydrogenase inhibitory compounds of the formula I, wherein R 1 , R 2 and R 3 are as defined in the specification. This invention is also directed to pharmaceutical compositions containing those compounds and methods of treating or preventing diabetic complications, particularly diabetic neuropathy, diabetic nephropathy, diabetic microangiopathy, diabetic macroangiopathy and diabetic cardiomyopathy by administering such compounds to a mammal suffering from diabetes and therefore at risk for developing such complications. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula I of this invention with an aldose reductase inhibitor and to methods of treating or preventing diabetic complications therewith. This invention is also directed to pharmaceutical compositions comprising a combination of a compound of formula I of this invention with an NHE-1 inhibitor and to methods of treating cardiomyopathy and other heart-related problems therewith. This invention is also directed to certain intermediates used in the synthesis of the compounds of formula I and to processes for preparing those intermediates.

  本发明涉及公式I的山梨醇脱氢酶抑制剂化合物，其中R1、R2和R3如规范中所定义。本发明还涉及包含这些化合物的制药组合物以及通过向患有糖尿病且因此有发展这些并发症的风险的哺乳动物投与这些化合物来治疗或预防糖尿病并发症，特别是糖尿病神经病变、糖尿病肾病、糖尿病微血管病、糖尿病大血管病和糖尿病心肌病的方法。本发明还涉及包括本发明的公式I化合物与醛糖还原酶抑制剂的组合物的制药组合物以及用于治疗或预防糖尿病并发症的方法。本发明还涉及包括本发明的公式I化合物与NHE-1抑制剂的组合物的制药组合物以及用于治疗心肌病和其他与心脏有关的问题的方法。本发明还涉及用于合成公式I化合物的某些中间体以及制备这些中间体的方法。
• Unified Access to Pyrimidines and Quinazolines Enabled by N–N Cleaving Carbon Atom Insertion
  作者：Ethan E. Hyland、Patrick Q. Kelly、Alexander M. McKillop、Balu D. Dherange、Mark D. Levin

  DOI：10.1021/jacs.2c09616

  日期：2022.10.26

  transformations with the capacity to modify such molecular skeletons with modularity remain highly desirable. Ring expansions that enable interconversion of privileged heterocyclic motifs are especially interesting in this regard. As such, the known mechanisms for ring expansion and contraction determine the classes of heterocycle amenable to skeletal editing. Herein, we report a reaction that selectively cleaves

  鉴于杂环在生物活性分子中的普遍存在，具有以模块性修饰此类分子骨架的能力的转化仍然是非常可取的。在这方面，能够实现特权杂环基序相互转换的环扩展特别有趣。因此，环膨胀和收缩的已知机制决定了适合骨架编辑的杂环类。在此，我们报告了一种反应，该反应选择性地裂解吡唑和吲唑核的 N-N 键，分别得到嘧啶和喹唑啉。这种氯地氮嗪介导的反应为相关的杂环对提供了统一的途径，否则通常通过不同的方法制备。机理实验和 DFT 计算支持一种途径，该途径涉及吡唑鎓叶立德碎裂，然后环化开环的二氮杂六三烯中间体以产生新的二嗪核。除了能够从易于制备的起始材料中获取有价值的杂芳烃外，我们还展示了骨架编辑在瑞舒伐他汀类似物合成以及芳基载体调节直接支架跳跃中的综合效用。
• ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE
  申请人：Medshine Discovery Inc.

  公开号：EP3252059A1

  公开（公告）日：2017-12-06

  Disclosed is a substituted nitroimidazole derivative, which is mainly used for treating related diseases caused by mycobacterial infections, such as Mycobacterium tuberculosis, especially being suitable for diseases caused by resistant Mycobacterium tuberculosis.

  本发明公开了一种取代的硝基咪唑衍生物，主要用于治疗结核分枝杆菌等分枝杆菌感染引起的相关疾病，尤其适用于耐药结核分枝杆菌引起的疾病。
• Inhibitors of the renal outer medullary potassim channel
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10000484B2

  公开（公告）日：2018-06-19

  The present invention provides compounds of Formula (I) (Formula (I)) including pharmaceutically acceptable salts thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure and chronic kidney disease and conditions associated with excessive salt and water retention.

  本发明提供了式(I)化合物（式(I)），包括其药学上可接受的盐，它们是ROMK（Kir1.1）通道的抑制剂。这些化合物可用作利尿剂和/或利钠剂，用于治疗和预防包括高血压、心力衰竭和慢性肾病等心血管疾病以及与盐分和水分过度潴留相关的疾病在内的各种病症。