5,5,5-trifluoropentan-2-one | 1341078-97-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5,5-trifluoropentan-2-one
• CAS: 1341078-97-4
• 化学式: C₅H₇F₃O
• mdl: MFCD20353440
• 分子量: 140.105
• InChiKey: KSGFMCPOCNISNE-UHFFFAOYSA-N

物化性质

• 沸点：
  83.5±35.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,5,5-trifluoropentan-2-one 在 咪唑 、 lithium aluminium tetrahydride 、 四丁基溴化铵 、 碘 、 间氯过氧苯甲酸 、 sodium hydroxide 、 锌 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 甲苯 为溶剂， 反应 8.08h， 生成 1-phenyl-5-({6,6,6-trifluoro-3-methyl-3-[(trimethylsilyl)oxy]hexyl}sulfonyl)-1H-tetrazole
  参考文献：
  名称：

  Synthesis and evaluation of a potent, well-balanced EP 2 /EP 3 dual agonist

  摘要：

  A highly potent and well-balanced dual agonist for the EP2 and EP3 receptors is described. Optimization of the lead compound was accomplished in consideration of the relative agonist activity against each EP subtype receptor and the pharmacokinetic profile. As the result, 2-[(2-{(1R,2R)-2-[(1E,4S)-5-cyclopentyl-4-hydroxy-4-methyl-1-penten-1-yl]-5-oxocyclopentyl}eth-yl)thio]-1,3-thiazole-4-carboxylic acid (10) showed excellent potency (human EC50 EP2 = 1.1 nM, EP3 = 1.0 nM) with acceptable selectivity over the EP1 and EP4 subtypes (> 2000-fold). Further fine-tuning of compound 10 led to identification of ONO-8055 as a clinical candidate. ONO-8055 was effective at an extremely low dose (0.01 mg/kg, po, bid) in rats, and dose-dependently improved voiding dysfunction in a monkey model of underactive bladder (UAB). ONO-8055 is expected to be a novel and highly promising drug for UAB. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2017.11.035

文献信息

• IMIDAZO[1,2-A]PYRIDINES AS SOLUBLE GUANYLATE CYCLASE STIMULATORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20170050961A1

  公开（公告）日：2017-02-23

  The present application relates to novel substituted imidazo[1,2-a]pyridine-3-carboxamides, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型取代咪唑[1,2-a]吡啶-3-羧酰胺，其制备方法，其单独或组合使用用于治疗和/或预防疾病，以及其用于制备治疗和/或预防疾病药物，特别是用于治疗和/或预防心血管疾病。
• [EN] HETEROCYCLIC COMPOUND<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE
  申请人：HETEROCYCLIC COMPOUND

  公开号：WO2020068846A1

  公开（公告）日：2020-04-02

  The present invention provides a compound having a CaMKII inhibitory action, which is expected to be useful as an agent for the prophylaxis or treatment of cardiac diseases (particularly catecholaminergic polymorphic ventricular tachycardia, postoperative atrial fibrillation, heart failure, fatal arrhythmia) and the like. The present invention relates to compounds described in Examples, or a salt thereof.

  本发明提供了一种具有CaMKII抑制作用的化合物，预计可用作预防或治疗心脏疾病（特别是儿茶酚胺多形性室性心动过速、术后心房颤动、心力衰竭、致命性心律失常）等的药剂。本发明涉及示例中描述的化合物或其盐。
• ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20170057958A1

  公开（公告）日：2017-03-02

  The present application relates to novel 6-hydrogen-substituted imidazo[1,2-a]pyridine-3-carboxamides, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型6-氢取代咪唑[1,2-a]吡啶-3-羧酰胺，其制备方法，其单独或组合使用于疾病的治疗和/或预防，以及其用于生产用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20170233345A1

  公开（公告）日：2017-08-17

  The present application relates to novel substituted quinoline-4-carboxamides and use thereof, to processes for their preparation, to their use, alone or in combinations, for the treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for the treatment and/or prophylaxis of diseases, especially for the treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型取代喹啉-4-甲酰胺及其使用，涉及其制备工艺，单独或与其他药物组合使用治疗和/或预防疾病，以及将其用于生产治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• SUBSTITUTED IMIDAZO[1,2-A]PYRAZINECARBOXAMIDES AND USE THEREOF
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160176880A1

  公开（公告）日：2016-06-23

  The present application relates to novel substituted imidazo[1,2-a]pyrazinecarboxamides, to processes for preparation thereof, to the use thereof, alone or in combinations, for treatment and/or prophylaxis of diseases, and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially for treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型取代咪唑[1,2-a]吡嗪羧酰胺，其制备方法，其单独或组合使用，用于治疗和/或预防疾病，以及用于生产治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防心血管疾病的用途。