BMS 554417; 4-[2-[4-[[(2S)-2-(3-氯苯基)-2-羟基乙基]氨基]-1,2-二氢-2-氧代-3-吡啶基]-7-甲基-1H-苯并咪唑-5-基]-1-哌嗪丙腈 | 468741-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: BMS 554417; 4-[2-[4-[[(2S)-2-(3-氯苯基)-2-羟基乙基]氨基]-1,2-二氢-2-氧代-3-吡啶基]-7-甲基-1H-苯并咪唑-5-基]-1-哌嗪丙腈
• 中文别名: 4-[2-[4-[[(2S)-2-(3-氯苯基)-2-羟基乙基]氨基]-1,2-二氢-2-氧代-3-吡啶基]-7-甲基-1H-苯并咪唑-5-基]-1-哌嗪丙腈
• 英文名称: BMS-554417
• 英文别名: (S)-3-(4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-7-methyl-1H-benzo[d]imidazol-5-yl)piperazin-1-yl)propanenitrile；3-[4-[2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperazin-1-yl]propanenitrile
• CAS: 468741-42-6
• 化学式: C₂₈H₃₀ClN₇O₂
• 分子量: 532.045
• InChiKey: VVIPLSCLYCWUQT-XMMPIXPASA-N

物化性质

• 密度：
  1.42

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  120
• 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 、 丙烯腈 以 甲醇 为溶剂， 生成 BMS 554417; 4-[2-[4-[[(2S)-2-(3-氯苯基)-2-羟基乙基]氨基]-1,2-二氢-2-氧代-3-吡啶基]-7-甲基-1H-苯并咪唑-5-基]-1-哌嗪丙腈
  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

• [EN] FORMYLATED N-HETEROCYCLIC DERIVATIVES AS FGFR4 INHIBITORS<br/>[FR] DÉRIVÉS N-HÉTÉROCYCLIQUES FORMYLÉS UTILISÉS EN TANT QU'INHIBITEURS DE FGFR4
  申请人：NOVARTIS AG

  公开号：WO2016151499A1

  公开（公告）日：2016-09-29

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; (I) a method for manufacturing said compound, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

  本发明提供了化合物(I)或其药学上可接受的盐；(I)制造该化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合物和包含该化合物的药物组合物。
• 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。
• [EN] NOVEL TYROSINE KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE LA TYROSINE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2002079192A1

  公开（公告）日：2002-10-10

  The present invention provides compounds of formula I[ ] 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I[ ]式化合物及其药学上可接受的盐。I式化合物抑制酪氨酸激酶酶，因此可用作抗癌剂。I式化合物也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。
• Stable, concentrated radionuclide complex solutions
  申请人：Advanced Accelerator Applications (Italy) Srl

  公开号：US10596276B2

  公开（公告）日：2020-03-24

  The present invention relates to radionuclide complex solutions of high concentration and of high chemical stability, that allows their use as drug product for diagnostic and/or therapeutic purposes. The stability of the drug product is achieved by at least one stabilizer against radiolytic degradation. The use of two stabilizers introduced during the manufacturing process at different stages was found to be of particular advantage.

  本发明涉及高浓度和高化学稳定性的放射性核素复合物溶液，这种溶液可用作诊断和/或治疗目的的药物产品。药品的稳定性是通过至少一种防止放射性降解的稳定剂来实现的。在生产过程的不同阶段使用两种稳定剂具有特别的优势。
• Formylated N-heterocyclic derivatives as FGFR4 inhibitors
  申请人：Novartis AG

  公开号：US10786492B2

  公开（公告）日：2020-09-29

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing said compound, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition comprising said compound.

  本发明提供了一种式（I）化合物或其药学上可接受的盐；一种制造所述化合物的方法及其治疗用途。 本发明进一步提供了一种药理活性剂组合和包含所述化合物的药物组合物。