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Tert-butyl 6-bromo-3-(1-(tert-butoxycarbonyl)-4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole-1-carboxylate | 1132610-04-8

中文名称
——
中文别名
——
英文名称
Tert-butyl 6-bromo-3-(1-(tert-butoxycarbonyl)-4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole-1-carboxylate
英文别名
tert-butyl 2-[6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxylate
Tert-butyl 6-bromo-3-(1-(tert-butoxycarbonyl)-4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole-1-carboxylate化学式
CAS
1132610-04-8
化学式
C29H35BrN6O4
mdl
——
分子量
611.539
InChiKey
DOZBVSUFIKBOMJ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    710.3±70.0 °C(predicted)
  • 密度:
    1.41±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    6
  • 重原子数:
    40
  • 可旋转键数:
    6
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.45
  • 拓扑面积:
    94.7
  • 氢给体数:
    0
  • 氢受体数:
    8

反应信息

  • 作为反应物:
    描述:
    Tert-butyl 6-bromo-3-(1-(tert-butoxycarbonyl)-4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole-1-carboxylate3-氨基苯硼酸(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下, 以 乙腈 为溶剂, 生成 tert-butyl 6-(3-aminophenyl)-3-(1-(tert-butoxycarbonyl)-4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole-1-carboxylate
    参考文献:
    名称:
    2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-ζ inhibitor
    摘要:
    The inhibition of PKC-zeta has been proposed to be a potential drug target for immune and inflammatory diseases. A series of 2-(6-phenyl-1H indazol-3-yl)-1H-benzo[d]imidazoles with initial high crossover to CDK-2 has been optimized to afford potent and selective inhibitors of protein kinase c-zeta (PKC-zeta). The determination of the crystal structures of key inhibitor:CDK-2 complexes informed the design and analysis of the series. The most selective and potent analog was identified by variation of the aryl substituent at the 6-position of the indazole template to give a 4-NH(2) derivative. The analog displays good selectivity over other PKC isoforms (alpha, betaII, gamma, delta, epsilon, mu, theta, eta and iota/lambda) and CDK-2, however it displays marginal selectivity against a panel of other kinases (37 profiled).
    DOI:
    10.1016/j.bmcl.2008.11.105
  • 作为产物:
    描述:
    二碳酸二叔丁酯 、 6-Bromo-3-(4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole 在 4-二甲氨基吡啶 二氯甲烷 、 Brine 、 Mg2SO4 、 silica gel 、 甲醇 作用下, 以 乙腈 为溶剂, 反应 15.0h, 以yielded a fluorescent solid substance (5, 1.7 g; yield=23.9%)的产率得到Tert-butyl 6-bromo-3-(1-(tert-butoxycarbonyl)-4-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-indazole-1-carboxylate
    参考文献:
    名称:
    Composition for Prevention or Treatment of Heart Failure
    摘要:
    提供了一种预防或治疗心力衰竭的组合物以及一种筛选治疗心力衰竭药物的方法。本公开首次证明PKCζ抑制剂的给药通过增加心肌收缩力提供正性肌力作用。因此,本公开将对预防或治疗心力衰竭做出重大贡献。此外,由于本公开基于心肌细胞中钙敏感性的变化,与现有的正性肌力药物不同,它可以增强心肌收缩力而不增加氧需求或心律失常的风险。
    公开号:
    US20110245179A1
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文献信息

  • Composition for Prevention or Treatment of Heart Failure
    申请人:Park Woo Jin
    公开号:US20110245179A1
    公开(公告)日:2011-10-06
    Provided are a composition for preventing or treating heart failure and a method for screening an agent for treating heart failure. The present disclosure demonstrates for the first time that administration of PKCζ inhibitor provides inotropic effect by increasing myocardial contractility. Thus, the present disclosure will contribute greatly to the prevention or treatment of heart failure. Also, since the present disclosure is based on the change in calcium sensitivity in cardiac myocytes unlike the existing inotropic agents, it can enhance the myocardial contractility without increasing oxygen demand or the risk of arrhythmia.
    提供了一种预防或治疗心力衰竭的组合物以及一种筛选治疗心力衰竭药物的方法。本公开首次证明了PKCζ抑制剂的给药通过增加心肌收缩力提供正性肌力作用。因此,本公开将极大地有助于预防或治疗心力衰竭。此外,由于本公开基于心肌细胞中钙敏感性的变化,不同于现有的正性肌力药物,它可以增强心肌收缩力而不增加氧需求或心律失常的风险。
  • 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-ζ inhibitor
    作者:John I. Trujillo、James R. Kiefer、Wei Huang、Atli Thorarensen、Li Xing、Nicole L. Caspers、Jacqueline E. Day、Karl J. Mathis、Kuniko K. Kretzmer、Beverley A. Reitz、Robin A. Weinberg、Roderick A. Stegeman、Ann Wrightstone、Lori Christine、Robert Compton、Xiong Li
    DOI:10.1016/j.bmcl.2008.11.105
    日期:2009.2
    The inhibition of PKC-zeta has been proposed to be a potential drug target for immune and inflammatory diseases. A series of 2-(6-phenyl-1H indazol-3-yl)-1H-benzo[d]imidazoles with initial high crossover to CDK-2 has been optimized to afford potent and selective inhibitors of protein kinase c-zeta (PKC-zeta). The determination of the crystal structures of key inhibitor:CDK-2 complexes informed the design and analysis of the series. The most selective and potent analog was identified by variation of the aryl substituent at the 6-position of the indazole template to give a 4-NH(2) derivative. The analog displays good selectivity over other PKC isoforms (alpha, betaII, gamma, delta, epsilon, mu, theta, eta and iota/lambda) and CDK-2, however it displays marginal selectivity against a panel of other kinases (37 profiled).
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