13-甲氧基-3,3-二甲基-11-(3-甲基-2-丁烯基)-7a,12a-二氢-3H,7H-(1)苯并呋喃并(3,2-c)吡喃并(3,2-g)苯并吡喃-10-醇 | 32986-79-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 中文名称: 13-甲氧基-3,3-二甲基-11-(3-甲基-2-丁烯基)-7a,12a-二氢-3H,7H-(1)苯并呋喃并(3,2-c)吡喃并(3,2-g)苯并吡喃-10-醇
• 英文名称: Gangetin
• 英文别名: 21-methoxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-6-ol
• CAS: 32986-79-1
• 化学式: C₂₆H₂₈O₅
• 分子量: 420.5
• InChiKey: FUNJPZFUOULIEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  539.6±50.0 °C(Predicted)
• 密度：
  1.200±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] TARGETING MB2 OF THE MYC ONCOGENE AND ITS INTERACTION WITH TRRAP IN CANCER<br/>[FR] CIBLAGE DE MB2 DE L'ONCOGÈNE MYC ET SON INTERACTION AVEC TRRAP DANS LE CANCER
  申请人：DARTMOUTH COLLEGE

  公开号：WO2021113347A1

  公开（公告）日：2021-06-10

  Provided are methods and compositions for identifying inhibitors of an interaction between the oncogenic transcription factor MYC and its cofactor TRRAP. The methods involve both cell-based and in vitro approaches for probing an interaction between MYC and TRRAP and for identifying inhibitors of a MYC-TRRAP interaction. Also provided are compounds for use as inhibitors of an interaction between MYC and TRRAP, and methods for developing a cancer therapeutic from such compounds, including methods for derivatizing such inhibitors and for testing the inhibitors and derivatized inhibitors for an ability to treat cancer in a subject. The methods, compounds, and compositions provided herein can provide various advantages, such as a means to target the oncogenic transcription factor MYC in cancer.