N-Pyrazylglycinamid | 19943-94-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-Pyrazylglycinamid
• 英文别名: -acetamid；N-pyrazin-2-yl-glycine amide；2-[(Pyrazin-2-yl)amino]acetamide；2-(pyrazin-2-ylamino)acetamide
• CAS: 19943-94-3
• 化学式: C₆H₈N₄O
• mdl: MFCD11120126
• 分子量: 152.156
• InChiKey: MAYAEUHARBENLL-UHFFFAOYSA-N

物化性质

• 沸点：
  437.1±35.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  80.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Pyrazylglycinamid 在 palladium 10% on activated carbon 、 氢气 、 cesium fluoride 作用下， 以 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 60.0h， 生成 N-(7-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Scaffold hopping approach to a new series of smoothened antagonists

  摘要：

  The hedgehog (Hh) signaling pathway is a key regulator during embryonic development, while in adults, it has limited functions such as stem cell maintenance and tissue repair. The aberrant activity of the Hh signaling in adults has been linked to numerous human cancers. Inhibition of Hh signaling therefore represents a promising approach toward novel anticancer therapies. The Smoothened (Smo) receptor mediates Hh signaling. Here we report a new series of Smo antagonists which were obtained by a scaffold hopping strategy. Compounds from this new scaffold demonstrated decent inhibition of Hh pathway signaling. The new scaffold can serve as a starting point for further optimization. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.079
• 作为产物：
  描述：

  2-碘乙酰胺 、 4-methyl-N-[(2E)-pyrazine-2(1H)-ylidene]benzenesulfonamide 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 以64%的产率得到N-Pyrazylglycinamid
  参考文献：
  名称：

  Scaffold hopping approach to a new series of smoothened antagonists

  摘要：

  The hedgehog (Hh) signaling pathway is a key regulator during embryonic development, while in adults, it has limited functions such as stem cell maintenance and tissue repair. The aberrant activity of the Hh signaling in adults has been linked to numerous human cancers. Inhibition of Hh signaling therefore represents a promising approach toward novel anticancer therapies. The Smoothened (Smo) receptor mediates Hh signaling. Here we report a new series of Smo antagonists which were obtained by a scaffold hopping strategy. Compounds from this new scaffold demonstrated decent inhibition of Hh pathway signaling. The new scaffold can serve as a starting point for further optimization. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.079

文献信息

• [EN] LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION<br/>[FR] COMPLEXES MÉTALLIQUES LUMINESCENTS POUR LA SURVEILLANCE DES FONCTIONS RÉNALES
  申请人：MALLINCKRODT INC

  公开号：WO2006026038A1

  公开（公告）日：2006-03-09

  Some embodiments of the present invention may be said to be directed to metal complexes of Formula I, wherein at least one of X1, X2, X3, R1, R2, R3, R4 and R5 is what may be characterized as an antenna capable of providing (e.g., absorbing and/or emitting) an appropriate electromagnetic signal. Some embodiments of the present invention are directed to ligands corresponding to metal complexes of Formula I. Some embodiments of the invention are directed to methods of determining renal function using at least one metal complex of Formula I.

  本发明的某些实施例可被称为公式I的金属配合物，其中X1、X2、X3、R1、R2、R3、R4和R5中至少一个可被表征为天线，能够提供（例如吸收和/或发射）适当的电磁信号。本发明的某些实施例涉及与公式I的金属配合物相对应的配体。本发明的某些实施例涉及使用至少一个公式I的金属配合物来确定肾功能的方法。
• LUMINESCENT METAL COMPLEXES FOR MONITORING RENAL FUNCTION
  申请人：MALLINCKRODT, INC.

  公开号：EP1793866A1

  公开（公告）日：2007-06-13
• Scaffold hopping approach to a new series of smoothened antagonists
  作者：Wenfeng Lu、Delong Geng、Zhijian Sun、Zhaohui Yang、Haikuo Ma、Jiyue Zheng、Xiaohu Zhang

  DOI：10.1016/j.bmcl.2014.03.079

  日期：2014.5

  The hedgehog (Hh) signaling pathway is a key regulator during embryonic development, while in adults, it has limited functions such as stem cell maintenance and tissue repair. The aberrant activity of the Hh signaling in adults has been linked to numerous human cancers. Inhibition of Hh signaling therefore represents a promising approach toward novel anticancer therapies. The Smoothened (Smo) receptor mediates Hh signaling. Here we report a new series of Smo antagonists which were obtained by a scaffold hopping strategy. Compounds from this new scaffold demonstrated decent inhibition of Hh pathway signaling. The new scaffold can serve as a starting point for further optimization. (C) 2014 Elsevier Ltd. All rights reserved.