4-(4-Hydroxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 4-(4-Hydroxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-one
• 英文别名: 4-(4-hydroxyphenyl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)butan-2-one
• 化学式: C₂₂H₂₅NO₅
• 分子量: 383.4
• InChiKey: FDQAFLAYJZFRKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  68.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL ANALGESIC THAT BINDS FILAMIN A
  申请人：Barbier Lindsay Burns

  公开号：US20100280061A1

  公开（公告）日：2010-11-04

  A compound, composition and method are disclosed that can bind to FLNA and provide analgesia. A contemplated compound has a structure that corresponds to Formula I, wherein R 1 and R 2 are substituents on W that is a ring structure, R 3 and R 4 are substituents on the depicted nitrogen atom, m, n and the dotted lines are all defined within.
• ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT
  申请人：WANG HOAU-YAN

  公开号：US20140017698A1

  公开（公告）日：2014-01-16

  An assay for Alzheimer's disease (AD) pathology in a living patient is disclosed wherein an amount of α7nAChR or TLR4 in a FLNA-captured protein complex or α7nAChR in an Aβ-captured protein complex or α7nAChR-FLNA, or TLR4-FLNA and/or α7nAChR-Aβ 42 complex present as a protein-protein complex in a sample is compared to the amount in a standard sample from a person free of AD pathology. An amount greater than in the standard sample indicates AD pathology. Also disclosed is an assay predictive of prognosis for treatment with a medicament in which the amount of an above protein or protein complex is compared to an amount in the presence of a medicament that binds to a FLNA pentapeptide and contains at least four pharmacophores of FIGS. 7 - 12 . An amount of protein or protein complex determined in the presence of medicament that is less than the first amount indicates a favorable treatment prognosis.
• US9354223B2
  申请人：——

  公开号：US9354223B2

  公开（公告）日：2016-05-31
• [EN] ALZHEIMER'S DISEASE ASSAY IN A LIVING PATENT<br/>[FR] ANALYSE DE LA MALADIE D'ALZHEIMER CHEZ UN PATIENT VIVANT
  申请人：PAIN THERAPEUTICS INC

  公开号：WO2014012054A1

  公开（公告）日：2014-01-16

  An assay for Alzheimer's disease pathology (AD) in a living patient is disclosed wherein an amount of α7nAChR or TLR4 in a FLNA-captured protein complex or oc7nAChR in an Αβ-captured protein complex or α7nAChR-FLNA, TLR4-FLNA and/or α7nAChR-Ap42 complex present as a protein-protein complex in a sample is determined and compared to the amount in a standard sample from a person free of AD pathology. An amount greater than in the standard sample indicates AD pathology. Also disclosed is an assay predictive of prognosis for treatment with a medicament in which the amount of an above protein or protein complex is determined and compared to an amount determined in the presence of a medicament that binds to a FLNA pentapeptide and contains at least four of the six pharmacophores of Figs. 7-12. An amount of protein or protein complex determined in the presence of the medicament less than the first determined amount indicates a favorable treatment prognosis.