螺环-6-氯-[2H-1-苯并呋喃--2,4’-哌啶]-4(3H)-酮 | 300552-38-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 螺环-6-氯-[2H-1-苯并呋喃--2,4’-哌啶]-4(3H)-酮
• 中文别名: 螺环-6-氯-[2H-1-苯并呋喃--2,4'-哌啶]-4(3H)-酮
• 英文名称: 6-chloro-spiro[chroman-2,4'-piperidin]-4-one hydrochloride
• 英文别名: 6-Chlorospiro[chroman-2,4'-piperidin]-4-one hydrochloride；6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
• CAS: 300552-38-9
• 化学式: C₁₃H₁₄ClNO₂*ClH
• 分子量: 288.174
• InChiKey: SHMRWZNLGYJXLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 储存条件：
  应存于室温、密封且干燥的环境中。

反应信息

• 作为反应物：
  描述：

  螺环-6-氯-[2H-1-苯并呋喃--2,4’-哌啶]-4(3H)-酮 、 4,5-二氯-6-甲基嘧啶 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  新型螺嘧啶胺作为杀真菌剂对拟假单胞菌立方体的设计，合成及构效关系。

  摘要：

  有害真菌和对可用杀真菌剂的抗药性严重威胁农作物的产量和质量；因此，寻找新的，高效的和能克服抵抗力的杀真菌剂仍然是农业科学家的迫切目标。在这项研究中，通过使用中间衍生化方法（IDM）设计和合成了一系列新型的spirpyyrimidinamine衍生物。通过1 H NMR，元素分析和MS光谱鉴定其结构。化合物5的结构通过X射线衍射进一步确认。生物分析表明，许多标题化合物对拟假孢子孢菌表现出一定的杀真菌活性。特别是化合物5表现出优异的活性（EC 50 = 0.422 mg / L），显着高于商品化杀菌剂氰基法米定，氟吗啡和双氟替林的活性。还讨论了结构-活性关系。结论是具有超强杀菌力和新颖结构的化合物5是有希望的农药化学杀真菌剂，可用于进一步开发。

  DOI：

  10.1021/acs.jafc.9b07055
• 作为产物：
  描述：

  2-羟基-5-氯苯乙酮 在 四氢吡咯 、 盐酸 、 水 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 2.0h， 生成 螺环-6-氯-[2H-1-苯并呋喃--2,4’-哌啶]-4(3H)-酮
  参考文献：
  名称：

  新型螺嘧啶胺作为杀真菌剂对拟假单胞菌立方体的设计，合成及构效关系。

  摘要：

  有害真菌和对可用杀真菌剂的抗药性严重威胁农作物的产量和质量；因此，寻找新的，高效的和能克服抵抗力的杀真菌剂仍然是农业科学家的迫切目标。在这项研究中，通过使用中间衍生化方法（IDM）设计和合成了一系列新型的spirpyyrimidinamine衍生物。通过1 H NMR，元素分析和MS光谱鉴定其结构。化合物5的结构通过X射线衍射进一步确认。生物分析表明，许多标题化合物对拟假孢子孢菌表现出一定的杀真菌活性。特别是化合物5表现出优异的活性（EC 50 = 0.422 mg / L），显着高于商品化杀菌剂氰基法米定，氟吗啡和双氟替林的活性。还讨论了结构-活性关系。结论是具有超强杀菌力和新颖结构的化合物5是有希望的农药化学杀真菌剂，可用于进一步开发。

  DOI：

  10.1021/acs.jafc.9b07055

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2123652A1

  公开（公告）日：2009-11-25

  The present invention provides a compound having an ACC inhibitory action, which is useful for the prophylaxis or treatment of obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia, cancer and the like, and has superior efficacy. The present invention provides a compound represented by the formula (I): wherein each symbol is as in the specification, or a salt thereof.

  本发明提供了一种具有ACC抑制作用的化合物，该化合物用于预防或治疗肥胖、糖尿病、高血压、高脂血症、心力衰竭、糖尿病并发症、代谢综合征、肌肉减少症、癌症等疾病，并具有优异的疗效。 本发明提供了一种由公式（I）表示的化合物： 其中每个符号如说明书所述，或其盐。
• Sorbitol dehydrogenase inhibitors
  申请人：Pfizer Inc.

  公开号：US06414149B1

  公开（公告）日：2002-07-02

  This invention is directed to sorbitol dehydrogenase inhibitory compounds of the formula I, wherein R1, 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 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。
• [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。
• AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP1185275A1

  公开（公告）日：2002-03-13