3-[(4-(5-formyl-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide | 1335490-57-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(4-(5-formyl-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide
• 英文别名: 3-[(4-(5-Formyl-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]-benzene-methanesulfonamide；[3-[[4-(5-formyl-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
• CAS: 1335490-57-7
• 化学式: C₁₈H₁₇N₅O₄S
• 分子量: 399.43
• InChiKey: LCUDZHNKTVUCGD-UHFFFAOYSA-N

物化性质

• 沸点：
  731.7±70.0 °C(Predicted)
• 密度：
  1.441±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-[(4-(5-formyl-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide 、 甲胺 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 14.0h， 以3%的产率得到3-[(4-(2-methoxy-5-(methylaminomethyl)phenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide
  参考文献：
  名称：

  [EN] PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES
  [FR] DÉRIVÉS DE TRIAZINE DISUBSTITUÉS PHARMACEUTIQUEMENT ACTIFS

  摘要：

  本发明涉及二取代三嗪衍生物和/或其药用盐，这些衍生物作为药用活性剂的用途，特别是用于预防和/或治疗传染性疾病，包括机会性疾病、免疫性疾病、自身免疫疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一个该二取代三嗪衍生物和/或其药用盐的药物组合物。此外，本发明涉及所述二取代三嗪衍生物作为蛋白激酶抑制剂的用途。其中，R1为公式(II)、公式(III)或公式(IV)。

  公开号：

  WO2011116951A1
• 作为产物：
  描述：

  3-[(4-(2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide 、 3-[(4-chloro-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide 、 5-醛基-2-甲氧基苯硼酸 生成 3-[(4-(5-formyl-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide
  参考文献：
  名称：

  PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES

  摘要：

  本发明涉及二取代三嗪衍生物和/或其药学上可接受的盐，这些衍生物作为药物活性剂的使用，特别是用于预防和/或治疗传染病，包括机会性疾病、免疫疾病、自身免疫性疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及至少包含其中一种二取代三嗪衍生物和/或其药学上可接受的盐的制药组合物。此外，本发明涉及使用所述二取代三嗪衍生物作为蛋白激酶抑制剂的用途。

  公开号：

  US20130079345A1

文献信息

• CDK9 inhibitors in the treatment of midline carcinoma
  申请人：Lead Discovery Center GmbH

  公开号：EP2561867A1

  公开（公告）日：2013-02-27

  The present invention relates to a CDK9 inhibitor, especially a selective CDK9 inhibitor, for use in treating, ameliorating and/or preventing midline carcinoma. Also corresponding methods for treating, preventing or ameliorating midline carcinoma are subject of the present invention. Preferably, NUT midline carcinoma is treated with the CDK9 inhibitors in accordance with the present invention.

  本发明涉及一种CDK9抑制剂，特别是一种选择性CDK9抑制剂，用于治疗、改善和/或预防中线癌。此外，治疗、预防或改善中线癌的相应方法也是本发明的主题。优选地，根据本发明用CDK9抑制剂治疗NUT中线癌。
• Susceptibility to selective CDK9 inhibitors
  申请人：Lead Discovery Center GmbH

  公开号：EP2562265A1

  公开（公告）日：2013-02-27

  The present invention relates to a method of selecting (a) cell(s), (a) tissue(s) or (a) cell culture(s) with susceptibility to a selective CDK9 inhibitor. Also a method for determining the responsiveness of a mammalian tumor cell or cancer cell to treatment with a selective CDK9 inhibitor is described herein. In particular, the present invention provides for an in vitro method for the identification of a responder for or a patient sensitive to a selective CDK9 inhibitor, whereby the patient is suspected to suffer from NUT midline carcinoma (NMC). The present invention also relates to a method of monitoring or predicting the efficacy of a treatment of NUT midline carcinoma (NMC), wherein treatment with a selective CDK9 inhibitor is in particular envisaged. Also the use of a (transgenic) non-human animal or a (transgenic) cell having at least one rearrangement in the NUT gene for screening and/or validation of a medicament for the treatment NUT midline carcinoma (NMC) is described. Furthermore, a kit useful for carrying out the methods described herein as well as an oligo- or polynucleotide capable of detecting rearrangements in the NUT gene are provide.

  本发明涉及一种选择对选择性 CDK9 抑制剂敏感的细胞、组织或细胞培养物的方法。本文还描述了一种确定哺乳动物肿瘤细胞或癌细胞对选择性 CDK9 抑制剂治疗的反应性的方法。特别是，本发明提供了一种体外方法，用于鉴定对选择性 CDK9 抑制剂敏感的应答者或患者，其中患者被怀疑患有 NUT 中线癌（NMC）。本发明还涉及一种监测或预测NUT中线癌（NMC）疗效的方法，其中特别设想了用选择性CDK9抑制剂进行治疗。此外，还描述了使用至少有一个 NUT 基因重排的（转基因）非人类动物或（转基因）细胞来筛选和/或验证治疗 NUT 中线癌（NMC）的药物。此外，还提供了用于实施本文所述方法的试剂盒以及能够检测 NUT 基因重排的寡核苷酸或多核苷酸。
• SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS
  申请人：Lead Discovery Center GmbH

  公开号：EP2748331A1

  公开（公告）日：2014-07-02
• CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA
  申请人：Choidas Axel

  公开号：US20140303167A1

  公开（公告）日：2014-10-09

  The present invention relates to a CDK9 inhibitor, especially a selective CDK9 inhibitor, for use in treating, ameliorating and/or preventing midline carcinoma. Also corresponding methods for treating, preventing or ameliorating midline carcinoma are subject of the present invention. Preferably, NUT midline carcinoma is treated with the CDK9 inhibitors in accordance with the present invention.
• [EN] SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS<br/>[FR] SUSCEPTIBILITÉ À DES INHIBITEURS SÉLECTIFS DE CDK9
  申请人：LEAD DISCOVERY CENTER GMBH

  公开号：WO2013026890A1

  公开（公告）日：2013-02-28

  The present invention relates to a method of selecting (a) cell(s), (a) tissue(s) or (a) cell culture(s) with susceptibility to a selective CDK9 inhibitor. Also a method for determining the responsiveness of a mammalian tumor cell or cancer cell to treatment with a selective CDK9 inhibitor is described herein. In particular, the present invention provides for an in vitro method for the identification of a responder for or a patient sensitive to a selective CDK9 inhibitor, whereby the patient is suspected to suffer from NUT midline carcinoma (NMC). The present invention also relates to a method of monitoring or predicting the efficacy of a treatment of NUT midline carcinoma (NMC), wherein treatment with a selective CDK9 inhibitor is in particular envisaged. Also the use of a (transgenic) non-human animal or a (transgenic) cell having at least one rearrangement in the NUT gene for screening and/or validation of a medicament for the treatment NUT midline carcinoma (NMC) is described. Furthermore, a kit useful for carrying out the methods described herein as well as an olieo- or polynucleotide canable of detecting rearrangements in the NUT nene are provided.