5-溴-2-氯-4-氟苯胺 | 305795-89-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-溴-2-氯-4-氟苯胺
• 中文别名: 2-氯-4-氟-5-溴苯胺
• 英文名称: 5-bromo-2-chloro-4-fluoroaniline
• CAS: 305795-89-5
• 化学式: C₆H₄BrClFN
• mdl: MFCD21603962
• 分子量: 224.46
• InChiKey: JOPDUFGUFFLQSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-溴-2-氯-4-氟苯胺 在 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 32.5h， 生成 N-(5-bromo-2-chloro-4-fluorophenyl)-6-methoxypyridazin-3-amine
  参考文献：
  名称：

  芳基喹唑啉类DNA-PK抑制剂

  摘要：

  本发明属于医药技术领域，具体涉及芳基喹唑啉类DNA‑PK抑制剂化合物、其药学上可接受的盐及其异构体，含有所述化合物、其药学上可接受的盐及其异构体的药物组合物及制剂，制备所述化合物、其药学上可接受的盐及其立体异构体的方法，以及所述化合物、其药学上可接受的盐及其异构体的用途。

  公开号：

  CN112300132A

文献信息

• [EN] TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR<br/>[FR] TÉTRAHYDRO-AZÉPINOQUINOLÉINES EN TANT QU'AGONISTES DU RÉCEPTEUR 5-HT2C
  申请人：SUNNYLIFE PHARMA INC

  公开号：WO2016033228A1

  公开（公告）日：2016-03-03

  Certain tetrahydro-azepinoquinolines of structural formula (I) are agonists of the mammalian 5-HT2c receptor, and, in particular, are selective agonists of the mammalian 5-HT2c receptor. The compounds of the present invention are therefore useful for the treatment, control, or prevention of duseases, conditions, or disorders responsive to stimulation of the 5-HT2c receptor, such as obesity, obesity-related condtions, and certain CNS-related disorders, including schizophrenia and depression. They are also useful as aids for tobacco smoking cessation. Formula (I).

  结构式（I）的某些四氢-氮杂环喹啉化合物是哺乳动物5-HT2c受体的激动剂，特别是哺乳动物5-HT2c受体的选择性激动剂。因此，本发明的化合物对于治疗、控制或预防对5-HT2c受体刺激有反应的疾病、病况或疾病是有用的，例如肥胖、与肥胖相关的病况以及包括精神分裂症和抑郁症在内的某些中枢神经系统相关疾病。它们还可用作辅助戒烟工具。结构式（I）。
• Palladium-Catalyzed One-Pot Synthesis of 5-(1-Arylvinyl)-1<i>H</i> -benzimidazoles: Overcoming the Limitation of Acetamide Partners
  作者：Timothée Naret、Pascal Retailleau、Jérôme Bignon、Jean-Daniel Brion、Mouad Alami、Abdallah Hamze

  DOI：10.1002/adsc.201600173

  日期：2016.6.2

  A new one‐pot palladium‐catalyzed process between N‐tosylhydrazones, N‐(dihalophenyl)‐imidates, and amines was designed. This reaction involves Barluenga cross‐coupling and N‐arylation followed by cyclization to produce functionalized benzimidazoles. During this transformation, one CC bond and two CN bonds were created by a single palladium‐catalyzed reaction. Depending on the starting materials

  设计了一种新的单锅钯催化方法，该方法在N-甲苯磺酰hydr，N-（二卤代苯基）-亚氨酸酯和胺之间进行。该反应涉及Barluenga交叉偶联和N芳基化，然后环化生成功能化的苯并咪唑。在这一转变过程中，通过一个钯催化的反应就产生了一个CC键和两个CN键。取决于起始材料，一个5-（1-芳基乙烯基）-1 H的库合成了苯并咪唑。在评估的几种芳基乙烯基苯并咪唑衍生物中，一种化合物在纳摩尔浓度范围内对人结肠癌细胞系（HCT-116）和人肺腺癌上皮细胞系（A549）表现出优异的抗增殖活性。
• Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3-<i>d</i>]pyrimidine RET Inhibitors
  作者：Casey J. N. Mathison、Yang Yang、John Nelson、Zhihong Huang、Jiqing Jiang、Donatella Chianelli、Paul V. Rucker、Jason Roland、Yun Feng Xie、Robert Epple、Badry Bursulaya、Christian Lee、Mu-Yun Gao、Jennifer Shaffer、Sergio Briones、Yelena Sarkisova、Anna Galkin、Lintong Li、Nanxin Li、Chun Li、Su Hua、Shailaja Kasibhatla、Jacqueline Kinyamu-Akunda、Rie Kikkawa、Valentina Molteni、John E. Tellew

  DOI：10.1021/acsmedchemlett.1c00450

  日期：2021.12.9

  toward the discovery of small-molecule therapeutics. Hits uncovered via the analysis of archival kinase data ultimately led to the identification of a promising pyrrolo[2,3-d]pyrimidine scaffold. The optimization of this pyrrolo[2,3-d]pyrimidine core resulted in compound 1, which demonstrated potent in vitro RET kinase inhibition and robust in vivo efficacy in RET-driven tumor xenografts upon multiday

  选择性抑制 RET 激酶作为相关癌症类型（包括肺腺癌）的治疗方法近年来引起了人们的极大兴趣，并促使人们为发现小分子疗法做出了各种努力。通过分析存档激酶数据发现的命中最终导致鉴定出有前途的吡咯并 [2,3- d ] 嘧啶支架。这种吡咯并 [2,3- d ] 嘧啶核心的优化产生了化合物1，其在小鼠中多日给药后在 RET 驱动的肿瘤异种移植物中表现出有效的体外 RET 激酶抑制和强大的体内功效。行政管理1在确定的有效剂量（10 和 30 mg/kg，po，qd）下耐受性良好，血浆暴露水平表明体内 KDR 或 hERG 抑制的风险最小，分别通过 Miles 测定和游离血浆浓度进行评估。
• Tetrahydro-azepinoquinolines as agonists of the 5-HT2C receptor
  申请人：Sunnylife Pharma, Inc.

  公开号：US10131660B2

  公开（公告）日：2018-11-20

  Certain tetrahydro-azepinoquinolines of structural formula I are agonists of the mammalian 5-HT2c receptor, and, in particular, are selective agonists of the mammalian 5-HT2c receptor. The compounds of the present invention are therefore useful for the treatment, control, or prevention of diseases, conditions, or disorders responsive to stimulation of the 5-HT2c receptor, such as obesity, obesity-related conditions, and certain CNS-related disorders, including schizophrenia and depression. They are also useful as aids for tobacco smoking cessation.

  结构式 I 的某些四氢氮杂卓喹啉类化合物是哺乳动物 5-HT2c 受体的激动剂，尤其是哺乳动物 5-HT2c 受体的选择性激动剂。因此，本发明的化合物可用于治疗、控制或预防对 5-HT2c 受体刺激有反应的疾病、病症或紊乱，如肥胖、肥胖相关病症和某些中枢神经系统相关紊乱，包括精神分裂症和抑郁症。它们还可用于戒烟。
• TETRAHYDRO-AZEPINOQUINOLINES AS AGONISTS OF THE 5-HT2C RECEPTOR
  申请人：Sunnylife Pharma, Inc.

  公开号：US20180215752A1

  公开（公告）日：2018-08-02

  Certain tetrahydro-azepinoquinolines of structural formula I are agonists of the mammalian 5 -HT 2c receptor, and, in particular, are selective agonists of the mammalian 5 -HT 2c receptor. The compounds of the present invention are therefore useful for the treatment, control, or prevention of diseases, conditions, or disorders responsive to stimulation of the 5 -HT 2c receptor, such as obesity, obesity-related conditions, and certain CNS-related disorders, including schizophrenia and depression. They are also useful as aids for tobacco smoking cessation.