1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethan-1-one | 1370448-79-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethan-1-one
• 英文别名: 1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethanone；1-[4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethanone
• CAS: 1370448-79-5
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: CFDAHIXYNSCTLG-UHFFFAOYSA-N

物化性质

• 沸点：
  429.3±40.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethan-1-one 在 四氢吡咯 、 三氟乙酸 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 36.0h， 生成 1-benzyl-1'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one
  参考文献：
  名称：

  [EN] N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS
  [FR] INHIBITEURS DE N1-PYRAZOLOSPIROCÉTONE ACÉTYL-COA CARBOXYLASE

  摘要：

  该发明提供了化合物Formula (I) Z N N O N O A1R2 R1 R3R 3 L A 2 (I)或该化合物的药用可接受的盐，其中R1、R2、R3、Z、A1、L和A 5 2如本文所述；其药物组成物；以及在治疗受乙酰辅酶A羧化酶抑制调节的动物疾病、状况或障碍中的使用。

  公开号：

  WO2012042433A1
• 作为产物：
  描述：

  (4-甲氧苯基)肼盐酸盐 以 水 为溶剂， 反应 5.0h， 生成 1-(4-hydroxy-1-(4-methoxybenzyl)-1H-pyrazol-3-yl)ethan-1-one
  参考文献：
  名称：

  EIF4A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO

  摘要：

  本发明提供了根据式I合成的化合物、药用可接受的配方和用途，或其立体异构体、互变异构体或药用可接受的盐。对于式I化合物X、Y、R1、R2、R3a、R3b、R4a、R4b和R5如规范中所定义。这些创新的式I化合物是eIF4A的抑制剂，在许多治疗应用中发挥作用，包括但不限于治疗炎症和各种癌症。

  公开号：

  US20170145026A1

文献信息

• N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors
  申请人：Didiuk Mary Theresa

  公开号：US08859577B2

  公开（公告）日：2014-10-14

  The invention provides a compound of Formula (I) Z N N O N O A1R2 R1 R3R 3 L A2 (I) or a pharmaceutically acceptable salt of the compound, wherein R1, R2, R3,Z, A1, L and A 5 2 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl-CoA carboxylase enzyme(s) in an animal.

  该发明提供了公式（I）Z N N O N O A1R2 R1 R3R 3 L A2（I）的化合物或其药学上可接受的盐，其中R1，R2，R3，Z，A1，L和A2如本文所述；其制备的药物组合物；以及在治疗动物中通过抑制乙酰辅酶A羧化酶酶的作用调节的疾病、状况或障碍中使用的方法。
• N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS
  申请人：Pfizer Inc.

  公开号：US20150011470A1

  公开（公告）日：2015-01-08

  The invention provides a compound of Formula (I) or a pharmaceutically acceptable salt of the compound, wherein R 1 , R 2 , R 3 , Z, A 1 , L and A 2 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating diseases, conditions or disorders modulated by the inhibition of an acetyl-CoA carboxylase enzyme(s) in an animal.

  本发明提供了一种式（I）的化合物或其药学上可接受的盐，其中R1、R2、R3、Z、A1、L和A2如本文所述；以及其制备的药物组合物，以及将其用于治疗受到动物中乙酰辅酶A羧化酶酶抑制调节的疾病、情况或障碍的用途。
• REFRIGERANT COMPOSITION AND METHOD FOR SUPPRESSING DECOMPOSITION OF FLUOROHYDROCARBON
  申请人：Idemitsu Kosan Co., Ltd

  公开号：EP2832813A1

  公开（公告）日：2015-02-04

  A refrigerant composition contains: hydrofluorocarbon (HFC) with a GWP of 1000 or less; and pentafluoroethane. When the refrigerant composition is used in a refrigerating equipment such as an open-type automobile air-conditioner, an electric automobile air-conditioning equipment, a gas heat pump, an air conditioner, a refrigerator, a vending machine, a showcase, a water-heating system and a refrigerating/heating system, the amount of a fluorine compound generated as a result of decomposition of the refrigerant can be suppressed and thus the refrigerators can stably work for a long time.

  制冷剂组合物包含：全球升温潜能值不超过 1000 的氢氟碳化物（HFC）和五氟乙烷。 当制冷剂组合物用于制冷设备，如开放式汽车空调、电动汽车空调设备、燃气热泵、空调、冰箱、自动售货机、陈列柜、水加热系统和制冷/加热系统时，可抑制制冷剂分解产生的氟化合物量，从而使冰箱能够长期稳定工作。
• LUBRICATING OIL COMPOSITION FOR REFRIGERATING MACHINES
  申请人：Idemitsu Kosan Co., Ltd

  公开号：EP2832835A1

  公开（公告）日：2015-02-04

  A lubricating oil composition for refrigerating machines contains a base oil and an additive in a form of a coumarin compound. When the present lubricating oil composition for refrigerating machines is used in refrigerating equipment such as an open-type automobile air-conditioner, an electric automobile air-conditioner, a gas heat pump, other air-conditioning equipment, a refrigerating machine, a vending machine, a showcase, a water-heating system and a refrigerating/heating system, it is possible to detect the leakage of a refrigerant with a long-lasting stability. Therefore, when an unsaturated chlorofluorocarbon refrigerant with a poor stability is used in the above-listed equipment, the present lubricating oil composition for refrigerating machines is significantly advantageous.

  一种用于制冷机的润滑油组合物含有一种基础油和一种香豆素化合物形式的添加剂。当本发明的制冷机润滑油组合物用于开式汽车空调、电动汽车空调、燃气热泵、其他空调设备、制冷机、自动售货机、陈列柜、水加热系统和制冷/加热系统等制冷设备时，可以检测到具有持久稳定性的制冷剂的泄漏。因此，当在上述设备中使用稳定性较差的不饱和氯氟碳制冷剂时，本制冷机润滑油组合物具有明显的优势。
• BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3760625A1

  公开（公告）日：2021-01-06

  The invention provides compounds having the general formula (I) wherein R1, X, Z1, L, n, the A ring, the B ring, and the C ring are as described herein, pharmaceutical compositions including the compounds and the compounds for use in methods of medical treatment. The present compounds are receptor-interacting protein-1 (RIP1) kinase inhibitors useful for treating e.g. inflammatory diseases, such as e.g. irritable bowel disorders (IBD), irritable bowel syndrome (IBS), Crohn's disease, ulcerative colitis, myocardial infarction, stroke, traumatic brain injury, atherosclerosis, ischemia-reperfusion injury of kidneys, liver and lungs, cisplatin-induced kidney injury, sepsis, systemic inflammatory response syndrome (SIRS), pancreatits, psoriasis, retinitis pigmentosa, retinal degeneration, chronic kidney diseases, acute respiratory distress syndrome (ARDS), chronic obstructive pulmonary disease (COPD). The present description discloses the preparation of exemplary and reference compounds, as well as pharmacological data thereof (e.g. pages 116 to 1221; examples 1 to 793; examples A to C; tables). An exemplary compound is e.g. 5a-methyl-N-((S)-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide (example 1)

  本发明提供具有通式 (I) 的化合物 其中 R1、X、Z1、L、n、A 环、B 环和 C 环如本文所述；包括本发明化合物的药物组合物；以及本发明化合物在医疗方法中的用途。 本化合物是受体相互作用蛋白-1（RIP1）激酶抑制剂，可用于治疗炎症性疾病，例如肠易激综合征 (IBS)、克罗恩病、溃疡性结肠炎、心肌梗塞、中风、脑外伤、动脉粥样硬化、肾脏、肝脏和肺部缺血再灌注损伤、顺铂诱导的肾损伤、败血症、全身性炎症性休克、溃疡性结肠炎等、败血症、全身炎症反应综合征（SIRS）、胰腺炎、银屑病、色素性视网膜炎、视网膜变性、慢性肾脏疾病、急性呼吸窘迫综合征（ARDS）、慢性阻塞性肺病（COPD）。 本说明书公开了示例化合物和参考化合物的制备方法及其药理数据（如第 116 页至第 1221 页；例 1 至例 793；例 A 至例 C；表）。 示例化合物如 5a-甲基-N-((S)-5-甲基-4-氧代-2,3,4,5-四氢苯并[b][1,4]氧氮杂卓-3-基)-1,4,4a,5,5a,6-六氢环丙基[f]吲唑-3-甲酰胺（例 1）