tert-butyl {3-[4-chloro-2-(2-fluorobenzoyl)phenyl]prop-2-yn-1-yl}carbamate | 869366-53-0

• 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: tert-butyl {3-[4-chloro-2-(2-fluorobenzoyl)phenyl]prop-2-yn-1-yl}carbamate
• 英文别名: (3-[4-chloro-2-(2-fluorobenzoyl)phenyl]prop-2-ynyl)carbamic acid tert-butyl ester；{3-[4-Chloro-2-(2-fluoro-benzoyl)-phenyl]-prop-2-ynyl}-carbamic acid tert-butyl ester；tert-butyl N-[3-[4-chloro-2-(2-fluorobenzoyl)phenyl]prop-2-ynyl]carbamate
• CAS: 869366-53-0
• 化学式: C₂₁H₁₉ClFNO₃
• 分子量: 387.838
• InChiKey: MOJHNUOXISBMNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl {3-[4-chloro-2-(2-fluorobenzoyl)phenyl]prop-2-yn-1-yl}carbamate 在 potassium carbonate sesquihydrate 、 水 、 potassium carbonate 、 mercury(II) sulfate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 4-{[9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid
  参考文献：
  名称：

  MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors

  摘要：

  The Aurora kinases are essential for cell mitosis, and the dysregulation of Aurora A and B have been linked to the etiology of human cancers. Investigational agents MLN8054 (8) and alisertib (MLN8237, 10) have been identified as high affinity, selective, orally bioavailable inhibitors of Aurora A that have advanced into human clinical trials. Alisertib (10) is currently being evaluated in multiple Phase II and III clinical trials in hematological malignancies and solid tumors.

  DOI：

  10.1021/ml500409n
• 作为产物：
  描述：

  2-氨基-5-氯-2'-氟二苯甲酮 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 溶剂黄146 、 三乙胺 、 potassium iodide 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 8.0h， 生成 tert-butyl {3-[4-chloro-2-(2-fluorobenzoyl)phenyl]prop-2-yn-1-yl}carbamate
  参考文献：
  名称：

  MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors

  摘要：

  The Aurora kinases are essential for cell mitosis, and the dysregulation of Aurora A and B have been linked to the etiology of human cancers. Investigational agents MLN8054 (8) and alisertib (MLN8237, 10) have been identified as high affinity, selective, orally bioavailable inhibitors of Aurora A that have advanced into human clinical trials. Alisertib (10) is currently being evaluated in multiple Phase II and III clinical trials in hematological malignancies and solid tumors.

  DOI：

  10.1021/ml500409n

文献信息

• Compounds and methods for inhibiting mitotic progression
  申请人：Claiborne F. Christopher

  公开号：US20050256102A1

  公开（公告）日：2005-11-17

  This invention relates to compounds and methods for the treatment of cancer. In particular, the invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising the compounds, and methods of using the compounds for the treatment of cancer.

  这项发明涉及用于治疗癌症的化合物和方法。具体而言，该发明提供了抑制枢纽激酶的化合物，包含这些化合物的药物组合物，以及利用这些化合物治疗癌症的方法。
• COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION
  申请人：Claiborne Christopher F.

  公开号：US20090299060A1

  公开（公告）日：2009-12-03

  This invention relates to compounds and methods for the treatment of cancer. In particular, the invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising the compounds, and methods of using the compounds for the treatment of cancer.

  本发明涉及化合物和治疗癌症的方法。具体来说，本发明提供抑制极化激酶的化合物，包含该化合物的制药组合物以及使用该化合物治疗癌症的方法。
• Compounds and methods for inhibiting mitotic progression by inhibition of aurora kinase
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：EP1905773A2

  公开（公告）日：2008-04-02

  This invention relates to compounds of formula (A) and methods for the treatment of cancer. In particular, the invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising the compounds, and methods of using the compounds for the treatment of cancer.

  本发明涉及式（A）化合物和治疗癌症的方法。 特别是，本发明提供了抑制极光激酶的化合物、包含该化合物的药物组合物以及使用该化合物治疗癌症的方法。
• Methods for preparing aurora kinase inhibitors
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：EP2719698A1

  公开（公告）日：2014-04-16

  This invention relates to methods for the preparation of compounds that inhibit Aurora kinase suitable for the treatment of cancer.

  本发明涉及制备适用于治疗癌症的抑制 Aurora 激酶的化合物的方法。
• COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：EP1771450A2

  公开（公告）日：2007-04-11