2-(t-butyloxycarbonyl)ethanethioamide | 690-76-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: 2-(t-butyloxycarbonyl)ethanethioamide
• 英文别名: 3-thio-malonamic acid tert-butyl ester；thiocarbamoyl-acetic acid tert-butyl ester；α-tert-Butoxycarbonyl-thioacetamid；Tert-butyl 2-carbamothioylacetate；tert-butyl 3-amino-3-sulfanylidenepropanoate
• CAS: 690-76-6
• 化学式: C₇H₁₃NO₂S
• mdl: MFCD13195925
• 分子量: 175.252
• InChiKey: MRXPDEOWDKBHHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  84.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(t-butyloxycarbonyl)ethanethioamide 在 6-溴-2-甲基苯酚 、 对苯二酚 sodium cyanoborohydride 作用下， 以 甲醇 、 苯 为溶剂， 反应 40.0h， 生成 2-tert-Butoxycarbonylmethyl-3,6-dihydro-2H-[1,3]thiazine-5-carboxylic acid methyl ester
  参考文献：
  名称：

  Reliquet, Alain; Reliquet, Francoise; Meslin, Jean-Claude, Phosphorus and Sulfur and the Related Elements, 1983, vol. 15, p. 143 - 154

  摘要：

  DOI：
• 作为产物：
  描述：

  叔丁基丙二酰胺 在 劳森试剂 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 2-(t-butyloxycarbonyl)ethanethioamide
  参考文献：
  名称：

  WO2007/64553

  摘要：

  公开号：

文献信息

• BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Allen Darin

  公开号：US20080207683A1

  公开（公告）日：2008-08-28

  Biaryl-substituted tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  所述的双芳基取代的四氢吡唑吡啶化合物被描述为对半胱氨酸蛋白酶S的调节剂。这些化合物可用于制备药物组合物和治疗由半胱氨酸蛋白酶S活性介导的疾病状态、疾病和病况的方法，如银屑病、疼痛、多发性硬化、动脉粥样硬化和类风湿性关节炎。
• Novel multicyclic compounds and the use thereof
  申请人：——

  公开号：US20020028815A1

  公开（公告）日：2002-03-07

  The present invention is directed to novel multicyclic molecules that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of PARP, VEGFR2, and MLK3 enzymes, including, for example, neurodegenerative diseases, inflammation, ischemia, and cancer.

  本发明涉及介导酶活性的新型多环分子。具体而言，这些化合物可能在治疗与PARP、VEGFR2和MLK3酶活性相关的疾病或疾病状态方面具有有效性，例如神经退行性疾病、炎症、缺血和癌症。
• NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF
  申请人：Chatterjee Sankar

  公开号：US20110059959A1

  公开（公告）日：2011-03-10

  The present invention is directed to novel multicyclic molecules that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of PARP, VEGFR2, and MLK3 enzymes, including, for example, neurodegenerative diseases, inflammation, ischemia, and cancer.

  本发明涉及新型多环分子，可介导酶活性。特别是，这些化合物可以在治疗与PARP、VEGFR2和MLK3酶活性相关的疾病或疾病状态方面发挥作用，包括例如神经退行性疾病、炎症、缺血和癌症。
• Thiazole Derivatives as CXCR3 Receptor Modulators
  申请人：Adams Alan D.

  公开号：US20090143413A1

  公开（公告）日：2009-06-04

  The invention encompasses compounds of Formula I (I) or pharmaceutically acceptable salts thereof, which are antagonist of the CXCR3 chemokine receptor useful for the treatment or prevention of pathogenic inflammatory processes, autoimmune diseases or graft rejection processes. Methods of use and pharmaceutical compositions are also encompassed.

  该发明涵盖公式I（I）的化合物或其药学上可接受的盐，它们是CXCR3趋化因子受体的拮抗剂，可用于治疗或预防病原体引起的炎症过程、自身免疫性疾病或移植排斥过程。还涵盖使用方法和制药组合物。
• Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes
  申请人：CEPHALON, INC.

  公开号：EP1754707A2

  公开（公告）日：2007-02-21

  The present invention is directed to novel multicyclic molecules of formula Ia that mediate enzymatic activity. In particular, the compounds may be effective in the treatment of diseases or disease states related to the activity of PARP, VEGFR2, and MLK3 enzymes, including, for example, neurodegenerative diseases, inflammation, ischemia, and cancer.

  本发明涉及介导酶活性的式 Ia 的新型多环分子。特别是，这些化合物可有效治疗与 PARP、VEGFR2 和 MLK3 酶活性有关的疾病或疾病状态，例如包括神经退行性疾病、炎症、缺血和癌症。