2-amino-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide | 849808-11-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
• 英文别名: 2-amino-N-[(5-phenoxythiophen-2-yl)methyl]pyridine-3-carboxamide
• CAS: 849808-11-3
• 化学式: C₁₇H₁₅N₃O₂S
• 分子量: 325.391
• InChiKey: WVKKDFJXSTXZJB-UHFFFAOYSA-N

物化性质

• 沸点：
  574.5±50.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide 在 N-碘代丁二酰亚胺 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以13%的产率得到2-amino-5-iodo-N-(5-phenoxy-thiophene-2-ylmethyl)-nicotinamide
  参考文献：
  名称：

  EP1782811

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基烟酸 、 C-(5-phenoxy-thiophen-2-yl)methylamine 以2-Amino-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide (250 mg, 0.768 mmol) obtained from 2-aminonicotinic acid and C-(5-phenoxy-thiophen-2-yl)methylamine的产率得到2-amino-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
  参考文献：
  名称：

  Novel antifungal agent containing heterocyclic compound

  摘要：

  本发明提供了一种抗真菌剂，其表示为以下式子： [其中A1表示一个3-吡啶基团，可能具有取代基，喹啉基团，可能具有取代基或类似物；X1表示由公式—NH—C（═O）—，由公式—C（═O）—NH—或类似物表示的基团；E表示呋喃基团，噻吩基团，吡咯基团，苯基团，吡啶基团，四唑基团，噻唑基团或吡唑基团；但A1可能具有1到3个取代基，E具有一个或两个取代基。]

  公开号：

  US20070105943A1

文献信息

• Novel antifungal agent containing heterocyclic compound
  申请人：Nakamoto Kazutaka

  公开号：US20070105943A1

  公开（公告）日：2007-05-10

  The present invention provides an antifungal agent represented by the formula: [wherein A 1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X 1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A 1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其表示为以下式子： [其中A1表示一个3-吡啶基团，可能具有取代基，喹啉基团，可能具有取代基或类似物；X1表示由公式—NH—C（═O）—，由公式—C（═O）—NH—或类似物表示的基团；E表示呋喃基团，噻吩基团，吡咯基团，苯基团，吡啶基团，四唑基团，噻唑基团或吡唑基团；但A1可能具有1到3个取代基，E具有一个或两个取代基。]
• Novel Antimalarial Agent Containing Heterocyclic Compound
  申请人：Nakamoto Kazutaka

  公开号：US20090227799A1

  公开（公告）日：2009-09-10

  Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A 1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X 1 represents a group represented by the formula —C(═O)—NH— or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A 1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

  揭示了一种抗疟疾剂，其包含由下式表示的化合物： [其中A1表示一个3-吡啶基团，可以有取代基，一个6-喹啉基团，可以有取代基或类似物；X1表示一个由公式-C（═O）-NH-或类似物表示的基团；E表示一个呋喃基团，噻吩基团或苯基团；但前提是A1可以有1到3个取代基，E有两个取代基之一]或其盐或水合物。
• Antifungal agent containing heterocyclic compound
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07932272B2

  公开（公告）日：2011-04-26

  The present invention provides an antifungal agent represented by the formula: [wherein A1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其化学式如下：[其中A1代表3-吡啶基，可以具有取代基，喹啉基，也可以具有取代基等；X1代表由公式—NH—C（═O）—，由公式—C（═O）—NH—等表示的基团；E代表呋喃基，噻吩基，吡咯基，苯基，吡啶基，四唑基，噻唑基或吡唑基；限制条件是A1可以有1到3个取代基，E有一个或两个取代基]。
• NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND
  申请人：Eisai Co., Ltd.

  公开号：EP1669348A1

  公开（公告）日：2006-06-14

  The present invention provides an antifungal agent represented by the formula: [wherein A1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X1 represents a group represented by the formula -NH-C(=O)-, a group represented by the formula -C(=O)-NH-, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种由式表示的抗真菌剂： [其中A1代表可具有取代基的3-吡啶基、可具有取代基的喹啉基或类似基团；X1代表由式-NH-C(＝O)-代表的基团、由式-C(＝O)-NH-代表的基团或类似基团；E 代表呋喃基、噻吩基、吡咯基、苯基、吡啶基、四唑基、噻唑基或吡唑基；但 A1 可具有 1 至 3 个取代基，E 具有 1 或 2 个取代基]。
• NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1782811A1

  公开（公告）日：2007-05-09

  Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X1 represents a group represented by the formula -C(=O)-NH- or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

  本发明公开了一种抗疟药剂，其中含有一种由式......表示的化合物： [其中 A1 代表可具有取代基的 3-吡啶基、可具有取代基的 6-喹啉基或类似基团；X1 代表由式-C(＝O)-NH-或类似基团表示的基团；E 代表呋喃基、噻吩基或苯基； 但 A1 可具有一至三个取代基，E 具有两个取代基中的一个]或其盐或其水合物。