1-(4-Bromo-3-fluoro-phenyl)-propan-1-one | 916792-04-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Bromo-3-fluoro-phenyl)-propan-1-one
• 英文别名: 1-(4-Bromo-3-fluorophenyl)propan-1-one
• CAS: 916792-04-6
• 化学式: C₉H₈BrFO
• 分子量: 231.064
• InChiKey: GHHRUVSSLOMVNE-UHFFFAOYSA-N

物化性质

• 沸点：
  278.6±25.0 °C(Predicted)
• 密度：
  1.463±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(4-Bromo-3-fluoro-phenyl)-propan-1-one 在 tris(dibenzylideneacetone)dipalladium (0) 、 caesium carbonate 、 lithium hexamethyldisilazane 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 四氢呋喃 为溶剂， 生成 4-[4-(2-Benzyl-3-oxo-cyclohex-1-enylamino)-3-fluoro-phenyl]-3-methyl-4-oxo-butyric acid methyl ester
  参考文献：
  名称：

  Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors

  摘要：

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.056
• 作为产物：
  描述：

  4-溴-3-氟苯甲酸 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-(4-Bromo-3-fluoro-phenyl)-propan-1-one
  参考文献：
  名称：

  Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors

  摘要：

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.056

文献信息

• SUBSTITUTED HYDANTOINS
  申请人：Chen Shaoqing

  公开号：US20090170920A1

  公开（公告）日：2009-07-02

  The present invention relates to compounds of the formula methods for the preparation thereof, and methods for their use. The compounds are useful in treating diseases characterized by the hyperactivity of MEK. Accordingly the compounds are useful in the treatment of diseases, such as cancer, cognitive and CNS disorders, and inflammatory/autoimmune diseases.

  本发明涉及公式方法的化合物的制备方法，以及它们的使用方法。这些化合物在治疗以MEK过度活跃为特征的疾病方面很有用。因此，这些化合物在治疗疾病，如癌症、认知和中枢神经系统紊乱，以及炎症/自身免疫疾病方面很有用。
• HETEROCYCLIC AMINE DERIVATIVES
  申请人：Galley Guido

  公开号：US20120245172A1

  公开（公告）日：2012-09-27

  The present invention relates to compounds of formula I wherein A, B, X, Y, Ar, R 1 , R 2 , R′, m and n are as defined herein and to pharmaceutical active acid addition salts thereof. Compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds can be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及式I的化合物，其中A、B、X、Y、Ar、R1、R2、R′、m和n的定义如本文所述，并且涉及其药用活性酸盐。式I的化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑障碍、双相情感障碍、注意力缺陷多动障碍（ADHD）、与压力相关的障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用、以及代谢障碍如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍、以及心血管疾病。
• [EN] MALT1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE MALT1 ET LEURS UTILISATIONS
  申请人：UNIV CORNELL

  公开号：WO2017040304A1

  公开（公告）日：2017-03-09

  Provided herein are compounds of Formula (I) and pharmaceutical compositions thereof, which may be useful as MALT1 inhibitors. Also provided are for the treatment of proliferative disorders (e.g., cancer (e.g., non-Hodgkin' s lymphoma, diffuse large B-cell lymphoma, MALT lymphoma), benign neoplasm, a disease associated with angiogenesis,an autoimmune disease, an inflammatory disease, an autoinflammatory disease) by administering a compound of Formula (I).

  本文提供了化合物的化学式(I)及其药物组合物，可用作MALT1抑制剂。还提供了通过给予化合物的化学式(I)来治疗增生性疾病（例如癌症（例如非霍奇金淋巴瘤、弥漫性大B细胞淋巴瘤、MALT淋巴瘤）、良性肿瘤、与血管生成有关的疾病、自身免疫疾病、炎症性疾病、自身炎症性疾病）的方法。
• Substituted hydantoins
  申请人：Hoffmann-La Roche Inc.

  公开号：US08063085B2

  公开（公告）日：2011-11-22

  The present invention relates to compounds of the formula methods for the preparation thereof, and methods for their use. The compounds are useful in treating diseases characterized by the hyperactivity of MEK. Accordingly the compounds are useful in the treatment of diseases, such as cancer, cognitive and CNS disorders, and inflammatory/autoimmune diseases.

  本发明涉及公式化合物的方法，其制备方法以及其使用方法。该化合物在治疗MEK高活性所表征的疾病方面具有用途。因此，该化合物在治疗癌症、认知和中枢神经系统疾病以及炎症/自身免疫性疾病方面具有用途。
• SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2234982A1

  公开（公告）日：2010-10-06