N-(1H-pyrrol-2-yl)-1H-imidazol-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(1H-pyrrol-2-yl)-1H-imidazol-2-amine
• 化学式: C₇H₈N₄
• 分子量: 148.17
• InChiKey: IWIISYLWMZVBJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  3
• 氢受体数：
  2

文献信息

• Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV)
  申请人：KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US10512633B2

  公开（公告）日：2019-12-24

  Anti-viral compounds with low cytotoxicity are identified from screening of products found in Red Sea sponges, including the sponge Stylissa carteri. The identified compounds can be brominated pyrrole-2-aminoimidazole alkaloids and derivatives thereof. Specific examples of identified compounds include oroidin, hymenialdisine, and debromohymenialdisine, as well as derivatives thereof. The compounds also can be useful scaffolds or pharmacores for further chemical modification and derivatization. Selected compounds, particularly oroidin, show selective anti-viral HIV-1 activity coupled with reduced cytotoxicity. The compounds can function as HIV reverse-transcriptase inhibitors, and molecular modeling can be used to confirm inhibition.

  通过对红海海绵（包括 Stylissa carteri 海绵）中发现的产品进行筛选，确定了具有低细胞毒性的抗病毒化合物。鉴定出的化合物可以是溴化吡咯-2-氨基咪唑生物碱及其衍生物。已鉴定化合物的具体例子包括oidin、hymenialdisine 和 debromohymenialdisine 及其衍生物。这些化合物还可以作为有用的支架或药剂，用于进一步的化学修饰和衍生化。某些化合物，特别是roidin，具有选择性抗 HIV-1 病毒活性，同时细胞毒性降低。这些化合物可作为 HIV 逆转录酶抑制剂，分子模型可用于确认抑制作用。
• ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV)
  申请人：King Abdullah University of Science and Technology

  公开号：EP3210017A1

  公开（公告）日：2017-08-30
• ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV)
  申请人：KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY

  公开号：US20180000787A1

  公开（公告）日：2018-01-04

  Anti-viral compounds with low cytotoxicity are identified from screening of products found in Red Sea sponges, including the sponge Stylissa carteri. The identified compounds can be brominated pyrrole-2-aminoimidazole alkaloids and derivatives thereof. Specific examples of identified compounds include oroidin, hymenialdisine, and debromohymenialdisine, as well as derivatives thereof. The compounds also can be useful scaffolds or pharmacores for further chemical modification and derivatization. Selected compounds, particularly oroidin, show selective anti-viral HIV-1 activity coupled with reduced cytotoxicity. The compounds can function as HIV reverse-transcriptase inhibitors, and molecular modeling can be used to confirm inhibition.
• ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITIION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV)
  申请人：King Abdullah University of Science and Technology

  公开号：US20200188359A1

  公开（公告）日：2020-06-18

  Anti-viral compounds with low cytotoxicity are identified from screening of products found in Red Sea sponges, including the sponge Stylissa carteri. The identified compounds can be brominated pyrrole-2-aminoimidazole alkaloids and derivatives thereof. Specific examples of identified compounds include oroidin, hymenialdisine, and debromohymenialdisine, as well as derivatives thereof. The compounds also can be useful scaffolds or pharmacores for further chemical modification and derivatization. Selected compounds, particularly oroidin, show selective anti-viral HIV-1 activity coupled with reduced cytotoxicity. The compounds can function as HIV reverse-transcriptase inhibitors, and molecular modeling can be used to confirm inhibition.
• [EN] ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV)<br/>[FR] ALCALOÏDES D'ÉPONGE, ÉCHAFAUDAGES POUR L'INHIBITION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE (VIH)
  申请人：UNIV KING ABDULLAH SCI & TECH

  公开号：WO2016067090A1

  公开（公告）日：2016-05-06

  Anti-viral compounds with low cytotoxicity are identified from screening of products found in Red Sea sponges, including the sponge Stylissa carteri. The identified compounds can be brominated pyrrole-2- aminoimidazole alkaloids and derivatives thereof. Specific examples of identified compounds include oroidin, hymenialdisine, and debromohymenialdisine, as well as derivatives thereof. The compounds also can be useful scaffolds or pharmacores for further chemical modification and derivatization. Selected compounds, particularly oroidin, show selective anti-viral HIV-1 activity coupled with reduced cytotoxicity. The compounds can function as HIV reverse-transcriptase inhibitors, and molecular modeling can be used to confirm inhibition.