2-(3-[1,2,3]triazol-2-yl-propyl)-isoindol-1,3-dione | 849806-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(3-[1,2,3]triazol-2-yl-propyl)-isoindol-1,3-dione
• 英文别名: 2-(3-[1,2,3] Triazol-2-yl-propyl)-isoindol-1,3-dione；2-[3-(triazol-2-yl)propyl]isoindole-1,3-dione
• CAS: 849806-57-1
• 化学式: C₁₃H₁₂N₄O₂
• 分子量: 256.264
• InChiKey: XTWHVFIIFQELMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  68.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-[1,2,3]triazol-2-yl-propyl)-isoindol-1,3-dione 在 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 N²-<3-Amino-propyl>-1,2,3-triazol
  参考文献：
  名称：

  Discovery of a Highly Potent and Selective MYOF Inhibitor with Improved Water Solubility for the Treatment of Gastric Cancer

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c01639
• 作为产物：
  描述：

  N-(3-溴丙基)苯二胺 在 sodium hydride 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以47%的产率得到2-(3-[1,2,3]triazol-2-yl-propyl)-isoindol-1,3-dione
  参考文献：
  名称：

  EP1782811

  摘要：

  公开号：

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。
• NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND
  申请人：NAKAMOTO Kazutaka

  公开号：US20110195999A1

  公开（公告）日：2011-08-11

  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.

  本发明提供一种抗真菌剂，其化学式如下： 其中，A1代表3-吡啶基，可以有取代基，喹啉基，也可以有取代基等；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；但要求A1可能有1到3个取代基，E有1或2个取代基。
• 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]。