4-(5-Ethoxycarbonyl-4-methyl-3,11-dioxa-9-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 4-(5-Ethoxycarbonyl-4-methyl-3,11-dioxa-9-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-9-yl)butanoate
• 化学式: C22H23NO6
• 分子量: 397.4
• InChiKey: AOIDTYRNPZRICU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  89.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] COMPOSITIONS AND METHODS RELATING TO INHIBITING SERINE HYRDOXYMETHYLTRANSFERASE 2 ACTIVITY<br/>[FR] COMPOSITIONS ET PROCÉDÉS RELATIFS À L'INHIBITION DE L'ACTIVITÉ SÉRINE HYDROXYMÉTHYLTRANSFÉRASE 2
  申请人：UNIV MICHIGAN

  公开号：WO2016085990A1

  公开（公告）日：2016-06-02

  The present invention relates to small molecule compounds capable of inhibiting serine hydroxylmethyltransferase 2 (SHMT2) activity, methods for the discovery of such compounds, and related research and therapeutic uses for such compounds. In particular, the present invention provides compounds capable of inhibiting SHMT2 activity, and methods of using such compounds as therapeutic agents to treat a number of conditions associated with diseases and other pathophysiological states caused by or associated with aberrant SHMT2 activity (e.g., cancer).