N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-1-methylpyridin-1-ium-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-1-methylpyridin-1-ium-3-carboxamide
• 英文别名: N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]-1-methylpyridin-1-ium-3-carboxamide
• 化学式: C22H25N7O3+2
• 分子量: 435.5
• InChiKey: DBUKPVKCXJMBPN-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• CRYSTALLINE FORMS OF C21H22Cl2N4O2
  申请人：BIOMED VALLEY DISCOVERIES, INC.

  公开号：US20170320851A1

  公开（公告）日：2017-11-09

  The present invention provides crystalline forms of a compound of formula (I): Also provided are pharmaceutical compositions that include the provided crystalline forms and methods of using the provided crystalline forms and pharmaceutical compositions for the treatment of cancer.

  本发明提供了公式（I）化合物的晶体形式。还提供包含所提供晶体形式的药物组合物以及使用所提供的晶体形式和药物组合物治疗癌症的方法。
• Crystalline forms of C21H22Cl2N4O2
  申请人：BIOMED VALLEY DISCOVERIES, INC.

  公开号：US10738027B2

  公开（公告）日：2020-08-11

  The present invention provides crystalline forms of a compound of formula (I): Also provided are pharmaceutical compositions that include the provided crystalline forms and methods of using the provided crystalline forms and pharmaceutical compositions for the treatment of cancer.

  本发明提供了式 (I) 化合物的结晶形式： 还提供了包括所提供晶体形式的药物组合物，以及使用所提供晶体形式和药物组合物治疗癌症的方法。
• Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers
  申请人：BIOMED VALLEY DISCOVERIES, INC.

  公开号：US10881646B2

  公开（公告）日：2021-01-05

  The present invention provides, inter alia, methods, pharmaceutical compositions, and kits for treating or ameliorating the effects of a cancer in a subject, which cancer is refractory or resistant to non-ERK MAPK pathway inhibitor therapy. Also provided are methods for identifying a subject having cancer who would benefit from therapy with an ERK inhibitor and methods for inhibiting phosphorylation of RSK in a cancer cell that is refractory or resistant to a non-ERK MAPK pathway inhibitor.

  本发明特别提供了用于治疗或改善受试者癌症影响的方法、药物组合物和试剂盒，该癌症对非ERK MAPK通路抑制剂治疗具有难治性或耐药性。本发明还提供了用于识别将从 ERK 抑制剂治疗中获益的癌症患者的方法，以及用于抑制对非 ERK MAPK 途径抑制剂难治或耐药的癌细胞中 RSK 磷酸化的方法。
• Cancer treatments using combinations of PI3K/Akt pathway and ERK inhibitors
  申请人：BIOMED VALLEY DISCOVERIES, INC.

  公开号：US11007183B2

  公开（公告）日：2021-05-18

  The present invention provides, inter alia, methods, kits, and compositions for treating or ameliorating the effects of a cancer in a subject in need thereof. This method includes administering to the subject an effective amount of (i) a first anti-cancer agent, which is BVD-523 or a pharmaceutically acceptable salt thereof and (ii) a second anti-cancer agent, which is an inhibitor of the PI3K/Akt pathway or a pharmaceutically acceptable salt thereof. Also provided are methods of treating or ameliorating the effects of a subject with cancer in which the subject has a somatic KRAS and a somatic PIK3CA mutation or in which the cancer is refractory to a therapy selected from RAF inhibitor therapy, MEK inhibitor therapy, and RAF and MEK inhibitor therapy.

  本发明特别提供了用于治疗或改善有需要的受试者的癌症影响的方法、试剂盒和组合物。该方法包括向受试者施用有效量的(i)第一种抗癌剂，即 BVD-523 或其药学上可接受的盐和(ii)第二种抗癌剂，即 PI3K/Akt 通路抑制剂或其药学上可接受的盐。还提供了治疗或改善患有癌症的受试者的影响的方法，其中受试者具有体细胞KRAS和体细胞PIK3CA突变，或者癌症对选自RAF抑制剂疗法、MEK抑制剂疗法和RAF和MEK抑制剂疗法的疗法难治。
• CANCER TREATMENT USING COMBINATIONS OF ERK AND RAF INHIBITORS
  申请人：BIOMED VALLEY DISCOVERIES, INC.

  公开号：US20160310476A1

  公开（公告）日：2016-10-27

  The present invention provides, inter alia, methods of treating or ameliorating the effects of a cancer in a subject. The methods include administering to the subject an effective amount of (i) a first anti-cancer agent, which is BVD-523 or a pharmaceutically acceptable salt thereof and (ii) a second anti-cancer agent, which is a type 1 RAF inhibitor (such as dabrafenib) or another RAF inhibitor (such as regorafenib) or a pharmaceutically acceptable salt thereof, to treat or ameliorate the effects of the cancer. Also provided are pharmaceutical compositions and kits for treating or ameliorating the effects of a cancer in a subject.