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1-(2-methoxy-4-nitrophenyl)-3-phenylurea | 13142-89-7

中文名称
——
中文别名
——
英文名称
1-(2-methoxy-4-nitrophenyl)-3-phenylurea
英文别名
——
1-(2-methoxy-4-nitrophenyl)-3-phenylurea化学式
CAS
13142-89-7
化学式
C14H13N3O4
mdl
MFCD06053955
分子量
287.275
InChiKey
VPQBOYWWDYPZQM-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

计算性质

  • 辛醇/水分配系数(LogP):
    2.5
  • 重原子数:
    21
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.07
  • 拓扑面积:
    96.2
  • 氢给体数:
    2
  • 氢受体数:
    4

反应信息

  • 作为产物:
    参考文献:
    名称:
    UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES
    摘要:
    本发明涉及含有尿素基团的磺酰胺衍生物。本发明还涉及将这些衍生物用作胶原受体整合素的抑制剂,特别是α2β1整合素抑制剂,例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中,将其用作药物,例如用于治疗血栓形成、炎症、癌症和血管疾病,包含它们的制药组合物以及制备它们的过程。磺酰胺衍生物具有通式(I)或(I′)。
    公开号:
    US20120196884A1
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文献信息

  • [EN] UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES<br/>[FR] DERIVES DE SULFONAMIDE SUBSTITUES PAR UREE
    申请人:BIOTIE THERAPIES CORP
    公开号:WO2010146236A1
    公开(公告)日:2010-12-23
    The present invention relates to sulphonamide derivatives, whith a urea moiety. The invention also relates to the use of the derivatives as inhibitors of collagen receptor integrins, especially α2β1 integrin inhibitors e.g. in connection with diseases and medical conditions that involve the action of cells and platelets expressing collagen receptors, their use as a medicament, e.g. for the treatment of thrombosis, inflammation, cancer and vascular diseases, pharmaceutical compositions containing them and a process for preparing them. The sulphonamide derivatives have the general formula (I) or (I').
    本发明涉及含有脲基的磺胺类衍生物。该发明还涉及将这些衍生物用作胶原受体整合素的抑制剂,特别是α2β1整合素抑制剂,例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中使用,其用作药物,例如用于治疗血栓形成、炎症、癌症和血管疾病,含有它们的药物组合物以及制备它们的方法。这些磺胺类衍生物具有一般式(I)或(I')。
  • Structural optimization of a CXCR2-directed antagonist that indirectly inhibits γ-secretase and reduces Aβ
    作者:Pancham Bakshi、Chao Jin、Pierre Broutin、Beniam Berhane、Jon Reed、Michael Mullan
    DOI:10.1016/j.bmc.2009.09.051
    日期:2009.12
    Amyloid beta(A beta), a key molecule in the pathogenesis of Alzheimer's disease (AD), is derived from the amyloid precursor protein (APP) by sequential proteolysis via beta- and gamma-secretases. Because of their role in generation of A beta, these enzymes have emerged as important therapeutic targets for AD. In the case of gamma-secretase, progress has been made towards designing potent inhibitors with suitable pharmacological profiles. Direct gamma-secretase inhibitors are being evaluated in clinical trials and new strategies are being explored to block gamma-secretase activity indirectly as well. In this regard, we have previously reported an indirect regulation of gamma-secretase through antagonism of CXCR2, a G-protein coupled receptor (GPCR). We demonstrated that N-(2-hydroxy-4-nitrophenyl)-N'-(2-bromophenyl)urea (SB225002), a selective inhibitor of CXCR2 also plays a role in an indirect inhibition of gamma-secretase. Furthermore, we reported a similar to 5-fold difference in the selective inhibition of APP versus Notch processing via gamma-secretase following treatment with SB225002. Herein we describe the synthesis and optimization of SB225002. By determination of the structure-activity relationship (SAR), we derived small molecules that inhibit A beta 40 production with IC(50) values in the sub-micromolar range in a cell-based assay and also validated the potential of CXCR2 as a new target for therapeutic intervention in AD. (C) 2009 Elsevier Ltd. All rights reserved.
  • UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES
    申请人:Koivunen Jarkko Tapani
    公开号:US20120196884A1
    公开(公告)日:2012-08-02
    The present invention relates to sulphonamide derivatives, whith a urea moiety. The invention also relates to the use of the derivatives as inhibitors of collagen receptor integrins, especially α2β1 integrin inhibitors e.g. in connection with diseases and medical conditions that involve the action of cells and platelets expressing collagen receptors, their use as a medicament, e.g. for the treatment of thrombosis, inflammation, cancer and vascular diseases, pharmaceutical compositions containing them and a process for preparing them. The sulphonamide derivatives have the general formula (I) or (I′).
    本发明涉及含有尿素基团的磺酰胺衍生物。本发明还涉及将这些衍生物用作胶原受体整合素的抑制剂,特别是α2β1整合素抑制剂,例如在涉及表达胶原受体的细胞和血小板的疾病和医疗状况中,将其用作药物,例如用于治疗血栓形成、炎症、癌症和血管疾病,包含它们的制药组合物以及制备它们的过程。磺酰胺衍生物具有通式(I)或(I′)。
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