AG-012986 | 486414-35-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: AG-012986
• 英文别名: 4-((4-Amino-5-(2,6-difluorobenzoyl)thiazol-2-yl)amino)-N-((R)-2-dimethylamino-1-methylethyl)benzamide；4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-[(2R)-1-(dimethylamino)propan-2-yl]benzamide
• CAS: 486414-35-1
• 化学式: C₂₂H₂₃F₂N₅O₂S
• 分子量: 459.52
• InChiKey: KFWFBALDPSVAFT-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  AG-012986 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 以77%的产率得到AG-012986
  参考文献：
  名称：

  Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use

  摘要：

  氨基噻唑化合物与单取代/双取代苯甲酰胺的结构由式(I)表示，并描述了它们的药学上可接受的盐、药学上可接受的前药、药学上活性代谢物以及所述代谢物的药学上可接受的盐。 这些药物调节和/或抑制细胞增殖和蛋白激酶活性，并可用作治疗恶性肿瘤和其他疾病的药物。

  公开号：

  US20030225147A1
• 作为产物：
  描述：

  4-[[4-氨基-5-(2,6-二氟苯甲酰)噻唑-2-基]氨基]苯甲酸 、 (R)-N¹,N¹-dimethyl-propane-1,2-diamine dihydrochloride 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 AG-012986
  参考文献：
  名称：

  Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use

  摘要：

  氨基噻唑化合物与单取代/双取代苯甲酰胺的结构由式(I)表示，并描述了它们的药学上可接受的盐、药学上可接受的前药、药学上活性代谢物以及所述代谢物的药学上可接受的盐。 这些药物调节和/或抑制细胞增殖和蛋白激酶活性，并可用作治疗恶性肿瘤和其他疾病的药物。

  公开号：

  US20030225147A1

文献信息

• Process and chiral amine intermediates useful for preparation of antiproliferative 2,4-diaminothiazole amide compounds
  申请人：Kucera John David

  公开号：US20050026966A1

  公开（公告）日：2005-02-03

  This invention relates to a novel process for preparing D-alanine derivatives and bis-toluenesulfonic acid salts thereof useful as intermediates in the preparation of 2,4-diaminothiazole amide compounds and pharmaceutical compositions containing such compounds. The invention also relates to such compounds and compositions that demonstrate antiproliferative activity such as antitumor activity. These compounds and compositions are also useful for treating various diseases and disorders associated with uncontrolled or unwanted cell proliferation and for inhibiting protein kinases.

  本发明涉及一种新型的制备D-丙氨酸衍生物和双甲苯磺酸盐的方法，其可作为制备2,4-二氨基噻唑酰胺化合物和含有此类化合物的药物组合物的中间体。本发明还涉及这些化合物和组合物，它们具有抗增殖活性，如抗肿瘤活性。这些化合物和组合物还可用于治疗与未受控制或不需要的细胞增殖相关的各种疾病和障碍，并抑制蛋白激酶。
• 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：Lead Discovery Center GmbH

  公开号：EP2747755A1

  公开（公告）日：2014-07-02