BMS-577098 | 667402-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: BMS-577098
• 英文别名: (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-methoxyethyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one；4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
• CAS: 667402-44-0
• 化学式: C₂₈H₃₃ClN₆O₃
• 分子量: 537.061
• InChiKey: UQNVJOYCOQUVLD-XMMPIXPASA-N

物化性质

• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(piperazin-1-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one 、 2-溴乙基甲基醚 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 BMS-577098
  参考文献：
  名称：

  Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors: SAR of a series of 3-[6-(4-substituted-piperazin-1-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridine-2-one

  摘要：

  A series of 3-[6-(4-substitued-piperazin-1-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridine-2-one were synthesized to modulate CYP3A4 inhibition and improve aqueous solubility of our prototypical compound BMS-536924 (1), while maintaining potent IGF-1R inhibitory activity. Structure-activity and structure-solubility studies led to the identification of BMS-577098 (27), which demonstrates oral in vivo efficacy in animal models. The improvement was achieved by replacing morpholine with more polar bio-isoster piperazine and modulating the basicity of distal nitrogen with appropriate substitutions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.057

文献信息

• Novel tyrosine kinase inhibitors
  申请人：——

  公开号：US20040044203A1

  公开（公告）日：2004-03-04

  The present invention provides compounds of formula I 1 and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase enzymes thereby making them useful as anti-cancer agents. The formula I compounds are also useful for the treatment of other diseases which can be treated by inhibiting tyrosine kinase enzymes.

  本发明提供了公式I1的化合物及其药用盐。公式I化合物抑制酪氨酸激酶酶，因此可用作抗癌剂。公式I化合物还可用于治疗其他可以通过抑制酪氨酸激酶酶来治疗的疾病。
• METHODS OF TREATMENT
  申请人：Wang Yan

  公开号：US20110262525A1

  公开（公告）日：2011-10-27

  This invention relates to compositions and methods useful for treating various cancers. Therapeutic combinations and methods of use thereof are also covered in the present application.

  本发明涉及用于治疗各种癌症的组合物和方法。本申请还涵盖了治疗组合物和使用方法。
• IGFBP2 Biomarker
  申请人：Wang Yan

  公开号：US20150168424A1

  公开（公告）日：2015-06-18

  The present invention provides method for quickly and conveniently determining if a given treatment regimen of IGF1R inhibitor is sufficient, e.g., to saturate IGF1R receptors in the body of a subject. Several clinically relevant determinations may be made based on this point, including, for example, whether the dosage of the regimen is sufficient or should be increased.

  本发明提供了一种快速方便的方法，用于确定给定的IGF1R抑制剂治疗方案是否足够，例如，饱和受试者体内的IGF1R受体。可以基于这一点进行几个临床相关的决定，包括例如，治疗方案的剂量是否足够或应该增加。
• IGFBP2 BIOMARKER
  申请人：Wang Yan

  公开号：US20080112888A1

  公开（公告）日：2008-05-15

  The present invention provides method for quickly and conveniently determining if a given treatment regimen of IGF1R inhibitor is sufficient, e.g., to saturate IGF1R receptors in the body of a subject. Several clinically relevant determinations may be made based on this point, including, for example, whether the dosage of the regimen is sufficient or should be increased.
• US7223757B2
  申请人：——

  公开号：US7223757B2

  公开（公告）日：2007-05-29