[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
• 化学式: C51H69ClN2O13S
• 分子量: 985.6
• InChiKey: HSNXADDOLJLBAM-LYJWAQJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.79
• 重原子数：
  68
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  236
• 氢给体数：
  4
• 氢受体数：
  15

文献信息

• Parkinson's disease susceptibility haptotype as a tool for genetic screening
  申请人：Soreq Hermona

  公开号：US20060166204A1

  公开（公告）日：2006-07-27

  Specific PON1 and ACHE alleles segregate in linkage, forming an haplotype which directly correlates with higher susceptibility to develop Parkinson's Disease (PD). This PD-susceptibility haplotype is herein presented as a tool for predicting the risk of developing Parkinson's Disease and its severity, both for an individual and for the population in general. Thus, the present invention provides the use of said PD-susceptibility haplotype in diagnostic and screening methods.

  特定的 PON1 和 ACHE 等位基因会发生连锁分离，形成一种单倍型，这种单倍型与帕金森病（PD）的高易感性直接相关。这种帕金森病易感性单倍型在此作为一种工具，用于预测个人和整个人群患帕金森病的风险及其严重程度。因此，本发明提供了在诊断和筛查方法中使用所述帕金森病易感性单倍型的方法。