CAS: 81171-71-3; 4-Bromo-2-Fluorophenylisothiocyanate

该化合物是属于异硫氰酸物类的有机化合物,其特征为:在准位置上用溴原子替换的苯环,在正方位的氟化物原子,在正方位的异硫氰酸盐组(-N=C=S),在元位置的异硫氰酸盐组(-N=C=S),其特征是芳香性,有助于其稳定性和再活动;溴和氟化物原子的存在带来严重的电子异化差异,影响其化学行为和与其他分子的潜在互动;据了解,异硫氰酸盐的生物活动,包括潜在的抗微生物和抗癌特性;该化合物可用于多种用途,包括有机合成和作为制药或农用化学的建筑块;其独特的卤素亚基质子化合物和异硫氰酸化合物组合,使其在合成化学和药化学中都引起兴趣.

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CAS号463-71-8 硫光气 | CAS号367-24-8 4-溴-2-氟苯胺

合成工艺路线路线简述

  • 合成目标产物 4-Bromo-2-Fluorophenylisothiocyanate 96 主要起始原料 Thiophosgene And 4-Bromo-2-Fluoroaniline
  • 367-24-8 = 81171-71-3
    反应条件:1.1 Reagents: Sodium Carbonate Solvents: Chloroform; Rt; Overnight,Rt
    标题:Novel 5- And 6-Substituted Benzothiazoles With Improved Physicochemical Properties: Potent S1P1 Agonists With In Vivo Lymphocyte-Depleting Activity
    作者:Frohn,Mike; Et Al
    参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(1) 页码:628-633]

    367-24-8 + 280-57-9 = 81171-71-3
    反应条件:1.1 Solvents: Ethanol; 12 H,Rt2.1 Reagents: Triphosgene Solvents: Dichloromethane; 0 °C; 1 H,0 °C; 4 H,40 °C2.2 Reagents: Water
    标题:Structural Optimization And Structure-Activity Relationships Of N2-(4-(4-Methylpiperazin-1-Yl)Phenyl)-N8-Phenyl-9H-Purine-2,8-Diamine Derivatives,A New Class Of Reversible Kinase Inhibitors Targeting Both Egfr-Activating And Resistance Mutations
    作者:Yang,Jiao; Et Al
    参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(23) 页码:10685-10699]

    367-24-8 = 81171-71-3
    反应条件:1.1 Reagents: Sodium Carbonate Solvents: Chloroform; Overnight,Rt
    标题:Discovery Of Amg 369,A Thiazolo[5,4-B]Pyridine Agonist Of S1P1 And S1P5
    作者:Cee,Victor J.; Et Al
    参考文献:Acs Medicinal Chemistry Letters 日期:2011 卷标:2(2) 页码:107-112]

    280-57-9 = 81171-71-3
    反应条件:1.1 Reagents: Triphosgene Solvents: Dichloromethane; 0 °C; 1 H,0 °C; 4 H,40 °C1.2 Reagents: Water
    标题:Structural Optimization And Structure-Activity Relationships Of N2-(4-(4-Methylpiperazin-1-Yl)Phenyl)-N8-Phenyl-9H-Purine-2,8-Diamine Derivatives,A New Class Of Reversible Kinase Inhibitors Targeting Both Egfr-Activating And Resistance Mutations
    作者:Yang,Jiao; Et Al
    参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(23) 页码:10685-10699
📜(4-Bromo-2-Fluorophenyl)Carbamodithioic Acid;1,4-Diazabicyclo[2.2.2]octane置于三光气体系中,用 二氯甲烷 作为反应溶剂,化学反应 5.0H,反应生成 4-溴-2-氟苯基异硫氰酸
参考文献:Structural Optimization And Structure-activity Relationships Of N2-(4-(4-Methylpiperazin-1-yl)Phenyl)-N8-Phenyl-9H-Purine-2,8-Diamine Derivatives,A New Class Of Reversible Kinase Inhibitors Targeting Both Egfr-Activating And Resistance Mutations
标题:Structural Optimization And Structure-activity Relationships Of N2-(4-(4-Methylpiperazin-1-yl)Phenyl)-N8-Phenyl-9H-Purine-2,8-Diamine Derivatives,A New Class Of Reversible Kinase Inhibitors Targeting Both Egfr-Activating And Resistance Mutations
摘要:This Paper Describe The Structural Optimization Of A Hit Compound,N-2-(4-(4-Methylpiperazin-1-yl)Phenyl)-N-8-Phenyl-9H-Purine-2,8-Diamine (1),Which Is A Reversible Kinase Inhibitor Targeting Both Egfr-Activating And Drug-Resistance (T790M) Mutations But Has Poor Binding Affinity. Structure-Activity Relationship Studies Led To The Identification Of 9-Cyclopentyl-N-2-(4-(4-Methylpiperazin-1-yl)Phenyl)-N-8-Phenyl-9H-Purine-2,8-Diamine (9E) That Exhibits Significant In Vitro Antitumor Potency Against The Non-Small-Cell Lung Cancer (Nsclc) Cell Lines Hcc827 And H1975,Which Harbor Egfr-Activating And Drug-Resistance Mutations,Respectively. Compound 9E Was Further Assessed For Potency And Selectivity In Enzymatic Assays And In Vivo Anti-Nsclc Studies. The Results Indicated That Compound 9E Is A Highly Potent Kinase Inhibitor Against Both Egfr-Activating And Resistance Mutations And Has Good Kinase Spectrum Selectivity Across The Kinome. In Vivo,Oral Administration Of Compound 9E At A Dose Of 5 Mg/kg Caused Rapid And Complete Tumor Regression In A Hcc827 Xenograft Model,And An Oral Dose Of 50 Mg/kg Initiated A Considerable Antitumor Effect In An H1975 Xenograft Model.
DOI:10.1021/jm301365E

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参考DOI号:10.1016/j.bmcl.2011.10.069
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