4-methyl-3-(4-thiazole-2-yl-pyrimidine-2-yl-amino)benzoic acid ethyl ester | 926038-03-1

• 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: 4-methyl-3-(4-thiazole-2-yl-pyrimidine-2-yl-amino)benzoic acid ethyl ester
• 英文别名: 4-methyl-3-(4-thiazol-2-yl-pyrimidin-2-ylamino)benzoic acid ethyl ester；4-Methyl-3-(4-thiazol-2-yl-pyrimidin-2-ylamino)-benzoic acid ethyl ester；ethyl 4-methyl-3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate
• CAS: 926038-03-1
• 化学式: C₁₇H₁₆N₄O₂S
• 分子量: 340.406
• InChiKey: ZJDIMYCPTCFRHG-UHFFFAOYSA-N

物化性质

• 沸点：
  545.8±60.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(4-甲基-1H-咪唑-1-基)-5-(三氟甲基)苯胺 、 4-methyl-3-(4-thiazole-2-yl-pyrimidine-2-yl-amino)benzoic acid ethyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以81%的产率得到4-methyl-N-[3-(4-methylimidazole-1-yl)-5-trifluoromethyl-phenyl]-3-(4-thiazole-2-yl-pyrimidine-2-yl-amino)benzamide
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES
  [FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS N-PHÉNYL-2-PYRIMIDINE-AMINE

  摘要：

  揭示了一种制备N-苯基-2-嘧啶胺衍生物的新方法。与传统方法相比，该公开的制备方法效率高，因为该方法要求生产成本低，由于减少生产过程、简化纯化方法以及通过选择性反应获得高产量/纯度，并且环保且稳定。

  公开号：

  WO2010018895A1

文献信息

• N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof
  申请人：Kim Dong-Yeon

  公开号：US20080096899A1

  公开（公告）日：2008-04-24

  The present invention relates to a novel N-phenyl-2-pyrimidine-amine derivative represented by the above formula (1) and its salt showing a superior effect on cancer in warm-blooded animals, such as lung cancer, gastric cancer, colon cancer, pancreatic cancer, hepatoma, prostatic cancer, breast cancer, chronic or acute leukemia, hematologic malignancy, encephalophyma, bladder cancer, rectal cancer, cervical cancer, lymphoma, etc. The present invention also relates to a process for preparing the compound, and to a pharmaceutical composition for the treatment of the above various diseases, which comprises an effective amount of the compound as an active ingredient together with pharmaceutically acceptable inert carriers.

  本发明涉及一种新型的N-苯基-2-嘧啶胺衍生物，其化学式如上所示（1），以及其盐，对于温血动物中的癌症，如肺癌、胃癌、结肠癌、胰腺癌、肝癌、前列腺癌、乳腺癌、慢性或急性白血病、血液恶性肿瘤、脑水肿、膀胱癌、直肠癌、宫颈癌、淋巴瘤等具有优异的治疗效果。本发明还涉及一种制备该化合物的方法，以及一种药物组合物，用于治疗上述各种疾病，其包括有效量的该化合物作为活性成分，以及药用惯用的惰性载体。
• N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof
  申请人：Il-Yang Pharm. Co., Ltd.

  公开号：US07501424B2

  公开（公告）日：2009-03-10

  The present invention relates to a novel N-phenyl-2-pyrimidine-amine derivative represented by the above formula (1) and its salt showing a superior effect on cancer in warm-blooded animals, such as lung cancer, gastric cancer, colon cancer, pancreatic cancer, hepatoma, prostatic cancer, breast cancer, chronic or acute leukemia, hematologic malignancy, encephalophyma, bladder cancer, rectal cancer, cervical cancer, lymphoma, etc. The present invention also relates to a process for preparing the compound, and to a pharmaceutical composition for the treatment of the above various diseases, which comprises an effective amount of the compound as an active ingredient together with pharmaceutically acceptable inert carriers.

  本发明涉及一种新型N-苯基-2-嘧啶胺衍生物及其盐，其在温血动物的癌症治疗中表现出优越的效果，例如肺癌、胃癌、结肠癌、胰腺癌、肝癌、前列腺癌、乳腺癌、慢性或急性白血病、血液恶性肿瘤、脑积水、膀胱癌、直肠癌、宫颈癌、淋巴瘤等。本发明还涉及一种制备该化合物的方法，以及一种治疗上述各种疾病的药物组合物，其包括作为活性成分的化合物的有效量以及药用惯用的惰性载体。
• N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Il Yang Pharm. Co. Ltd.

  公开号：EP1922309A1

  公开（公告）日：2008-05-21
• US7501424B2
  申请人：——

  公开号：US7501424B2

  公开（公告）日：2009-03-10
• [EN] N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] DERIVES DE N-PHENYL-2-PYRIMIDINE-AMINE ET PROCEDE DE PREPARATION DE CEUX-CI
  申请人：IL YANG PHARM CO LTD

  公开号：WO2007018325A1

  公开（公告）日：2007-02-15

  [EN] The present invention relates to a novel N-phenyl-2-pyrimidine-amine derivative represented by the above formula (1) and its salt showing a superior effect on cancer in warm-blooded animals, such as lung cancer, gastric cancer, colon cancer, pancreatic cancer, hepatoma, prostatic cancer, breast cancer, chronic or acute leukemia, hematologic malignancy, encephalophyma, bladder cancer, rectal cancer, cervical cancer, lymphoma, etc. The present invention also relates to a process for preparing the compound, and to a pharmaceutical composition for the treatment of the above various diseases, which comprises an effective amount of the compound as an active ingredient together with pharmaceutically acceptable inert carriers.
  [FR] L'invention concerne un nouveau dérivé de N-phényl-2-pyrimidine-amine représenté par la formule (1) et son sel, qui sont particulièrement efficaces dans le traitement du cancer chez les animaux à sang chaud, p. ex. cancer du poumon, cancer gastrique, cancer du côlon, cancer du pancréas, hépatome, cancer de la prostate, cancer du sein, leucémie chronique ou aiguë, malignité hématologique, encéphalophyme, cancer de la vessie, cancer du rectum, cancer du col de l'utérus, lymphome, etc. L'invention concerne aussi un procédé de préparation de ce composé, et une composition pharmaceutique destinée à traiter les maladies mentionnées et qui comprend une quantité efficace du composé comme principe actif, ainsi que des excipients inertes pharmaceutiquement acceptables.