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N-(3-(pyridin-3-ylamino)-5-(1-(triisopropylsilyl)-1H-indol-4-yl)phenyl)acetamide | 915413-01-3

中文名称
——
中文别名
——
英文名称
N-(3-(pyridin-3-ylamino)-5-(1-(triisopropylsilyl)-1H-indol-4-yl)phenyl)acetamide
英文别名
N-[3-(pyridin-3-ylamino)-5-(1-triisopropylsilanyl-1H-indol-4-yl)-phenyl]-acetamide;N-[3-(pyridin-3-ylamino)-5-[1-tri(propan-2-yl)silylindol-4-yl]phenyl]acetamide
N-(3-(pyridin-3-ylamino)-5-(1-(triisopropylsilyl)-1H-indol-4-yl)phenyl)acetamide化学式
CAS
915413-01-3
化学式
C30H38N4OSi
mdl
——
分子量
498.743
InChiKey
FYVVSYSQZFLCIW-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):
    8.43
  • 重原子数:
    36
  • 可旋转键数:
    8
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    59
  • 氢给体数:
    2
  • 氢受体数:
    3

反应信息

  • 作为产物:
    参考文献:
    名称:
    Synthesis and Pharmacological Evaluation of N-(3-(1H-Indol-4-yl)-5-(2-methoxyisonicotinoyl)phenyl)methanesulfonamide (LP-261), a Potent Antimitotic Agent
    摘要:
    The synthesis and optimization of a series of orally bioavailable 1-(1H-indol-4-yl)-3,5-disubstituted benzene analogues as antimitotic agents are described A functionalized dibromobenzene intermediate was used as a key scaffold, which when modified by sequential Suzuki coupling and Buchwald-Hartwig amination provided a flexible entry to 1,3,5-trisubstituted phenyl compounds A 1H-indol-4-yl moiety at the 1-position was determined to be a critical feature for optimal potency The compounds have been shown to induce cell cycle arrest at the G2/M phase and demonstrate efficacy in both cell viability and cell proliferation assays The primary site of action for these agents is revealed by their colchicine competitive inhibition of tubulin polymerization, and a computational model has been developed for the association of these compounds to tubulin An optimized lead LP-261 significantly inhibits growth of a human non-small-cell lung tumor (NCI-H522) in a mouse xenograft model
    DOI:
    10.1021/jm100659v
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文献信息

  • Anti-cancer agents and uses thereof
    申请人:Kelly Martha
    公开号:US20060270686A1
    公开(公告)日:2006-11-30
    The present invention is in the area of novel compounds and salts thereof, their syntheses, and their use as anti-cancer agents. The compounds include compounds of Formula I: and solvates, hydrates and pharmaceutically-acceptable salts thereof, wherein A 1 is N or CR 1 ; A 3 is N or CR 3 ; A 5 is N or CR 5 ; R 1 , R 3 —R 6 and L are defined in the specification; n is 0 or 1; and X is an optionally-substituted aryl group having 6-10 carbons in the ring portion, an optionally-substituted 6-membered heteroaryl group having 1-3 nitrogen atoms in the ring portion, an optionally-substituted 5-membered heteroaryl group having 0-4 nitrogen atoms in the ring portion and optionally having 1 sulfur atom or 1 oxygen atom in the ring portion, or an optionally-substituted heteroaryl group in which a 6-membered ring is fused either to a 5-membered ring or to a 6-membered ring, wherein in each case 1, 2, 3 or 4 ring atoms are heteroatoms independently selected from nitrogen, oxygen and sulfur. They are effective against a broad range of cancers, especially leukemia, non-small cell lung and colon.
    本发明涉及新化合物及其盐,它们的合成以及它们作为抗癌剂的用途。这些化合物包括式I的化合物: 和其溶剂化物、合物和药用可接受盐,其中A 1 为N或CR 1 ;A 3 为N或CR 3 ;A 5 为N或CR 5 ;R 1 ,R 3 —R 6 和L在说明书中有定义;n为0或1;X为在环部分具有6-10个的可选择取代芳基,在环部分具有1-3个原子的可选择取代的6元杂芳基,在环部分具有0-4个原子且可选择具有1个原子或1个原子的可选择取代的5元杂芳基,或者在其中6元环与5元环或6元环融合的可选择取代的杂芳基,其中在每种情况下1、2、3或4个环原子是从中独立选择的杂原子。它们对广泛范围的癌症,特别是白血病、非小细胞肺癌和结肠癌有效。
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