3-(Allylamino)-7H-[1,3]benzimidazo[2,1-A]benzo[DE]isoquinolin-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-(Allylamino)-7H-[1,3]benzimidazo[2,1-A]benzo[DE]isoquinolin-7-one
• 英文别名: 17-(prop-2-enylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
• 化学式: C₂₁H₁₅N₃O
• mdl: MFCD00379789
• 分子量: 325.4
• InChiKey: OHZVMPGIBLYCGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Methods and compositions for treating beta-thalassemia and sickle cell disease
  申请人：Academia Sinica

  公开号：EP2678339B1

  公开（公告）日：2016-07-13
• METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE
  申请人：Shen Che-Kun James

  公开号：US20140088133A1

  公开（公告）日：2014-03-27

  The present invention provides compounds (such as compounds of formula I-a) that induce γ globin expression and pharmaceutical compositions thereof. Such compounds may have beneficial therapeutic effects. Compounds and compositions described herein may be used to treat hemoglobinopathies such as β-thalassemia and sickle cell anemia. (I-a)
• US8822491B2
  申请人：——

  公开号：US8822491B2

  公开（公告）日：2014-09-02
• [EN] METHODS AND COMPOSITIONS FOR TREATING ß-THALASSEMIA AND SICKLE CELL DISEASE<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT DE LA ?-THALASSÉMIE ET DE LA DRÉPANOCYTOSE
  申请人：ACADEMIA SINICA

  公开号：WO2012112232A1

  公开（公告）日：2012-08-23

  The present invention provides compounds (such as compounds of formula I-a) that induce γ globin expression and pharmaceutical compositions thereof. Such compounds may have beneficial therapeutic effects. Compounds and compositions described herein may be used to treat hemoglobinopathies such as β-thalassemia and sickle cell anemia. (I-a)