1-[[5-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-3-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[[5-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-3-pyridyl]methyl]-1,4,8,11-tetrazacyclotetradecane
• 英文别名: 1-[[5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)pyridin-3-yl]methyl]-1,4,8,11-tetrazacyclotetradecane
• 化学式: C₂₇H₅₃N₉
• 分子量: 503.8
• InChiKey: PKTIKIGPTFPMNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  91.6
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• METHOD FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS BY INHIBITION OF CXCR4/CXCL12 SIGNALING
  申请人：RAMOT AT TEL-AVIV UNIVERSITY LTD.

  公开号：US20160206592A1

  公开（公告）日：2016-07-21

  The present invention provides use of an inhibitor of G protein-coupled receptor CXCR4 for treating amyotrophic lateral sclerosis (ALS), for inhibiting glutamate release in astrocytes, or for increasing remyelinization in motor neurons.