2-甲基-2-丙基(3-甲基-2-噻吩基)氨基甲酸酯 | 194809-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 2-甲基-2-丙基(3-甲基-2-噻吩基)氨基甲酸酯
• 中文别名: 氨甲酸,(3-甲基-2-噻嗯基)-,1,1-二甲基乙基酯(9CI)
• 英文名称: (3-methylthiophen-2-yl)-carbamic acid tert-butyl ester
• 英文别名: tert-Butyl (3-methylthiophen-2-yl)carbamate；tert-butyl N-(3-methylthiophen-2-yl)carbamate
• CAS: 194809-05-7
• 化学式: C₁₀H₁₅NO₂S
• mdl: MFCD18831500
• 分子量: 213.301
• InChiKey: KOYPJRPYUJYATK-UHFFFAOYSA-N

物化性质

• 沸点：
  250.9±28.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲基-2-丙基(3-甲基-2-噻吩基)氨基甲酸酯 在 sodium hydride 、 lithium diisopropyl amide 作用下， 反应 37.0h， 生成 5-[N-(tert-butoxycarbonyl)-N-methylamino]-4-methyl-2-thiophenecarboxylic acid
  参考文献：
  名称：

  Synthesis and Evaluation of Novel Fluorinated Methotrexate Derivatives for Application to Rheumatoid Arthritis Treatment

  摘要：

  An ongoing search for new antifolate drugs useful against rheumatoid arthritis (RA) led us to prepare new methotrexate (MTX) derivatives containing enantiomerically pure L-erythro- or L-threo-gamma-fluoroglutamic acid. The derivatives in which the phenyl ring was replaced by a 3'-substituted phenyl or methylthiophene ring skewed potent immunosuppressive activities, including in vitro inhibition of mitogen responses of both T and B cells and in vivo inhibition of antibody production in mice. These compounds also exhibited inhibitory activity in adjuvant arthritis in rats. Their toxicity was lower than that of MTX, which was probably due to the strong eiectronegativity of fluorine, which increases the acidity of the gamma-carboxyl group and thereby decreases polyglutamylation in normal cells. These results revealed the potential of the fluorinated MTX derivatives as candidate drugs for the treatment of RA.

  DOI：

  10.1021/jm970085n
• 作为产物：
  描述：

  3-甲基噻吩-2-羧酸 、 叔丁醇 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 2-甲基-2-丙基(3-甲基-2-噻吩基)氨基甲酸酯
  参考文献：
  名称：

  WO2007/95124

  摘要：

  公开号：

文献信息

• Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors
  申请人：Mjalli M.M. Adnan

  公开号：US20070219235A1

  公开（公告）日：2007-09-20

  The present invention relates to compounds and methods from the treatment of cancer. The invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising compounds that inhibit Aurora kinase, and methods for the treatment of cancer using the compounds of the presentation invention or pharmaceutical compositions comprising compounds of the present invention.

  本发明涉及用于治疗癌症的化合物和方法。该发明提供了抑制极化子激酶的化合物，包含抑制极化子激酶的化合物的制药组合物，以及使用本发明的化合物或包含本发明化合物的制药组合物治疗癌症的方法。
• Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors
  申请人：Mjalli Adnan M.M.

  公开号：US20100152170A1

  公开（公告）日：2010-06-17

  The present invention relates to compounds and methods from the treatment of cancer. The invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising compounds that inhibit Aurora kinase, and methods for the treatment of cancer using the compounds of the presentation invention or pharmaceutical compositions comprising compounds of the present invention.

  本发明涉及用于治疗癌症的化合物和方法。该发明提供抑制极化丝激酶的化合物，包含抑制极化丝激酶的化合物的药物组合物，并使用本发明的化合物或包含本发明化合物的药物组合物进行癌症治疗的方法。
• WO2007/95124
  申请人：——

  公开号：——

  公开（公告）日：——
• US7820821B2
  申请人：——

  公开号：US7820821B2

  公开（公告）日：2010-10-26
• US8377983B2
  申请人：——

  公开号：US8377983B2

  公开（公告）日：2013-02-19