1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol | 1253796-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
• CAS: 1253796-74-5
• 化学式: C₂₂H₃₅NO₂
• 分子量: 345.525
• InChiKey: RLNMGUSMDCMROJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,3,4-四氢喹啉 、 2-[(2-异丙基-5-甲基-环己氧基)甲基]环氧乙烷 在 水 作用下， 反应 48.0h， 以56%的产率得到1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
  参考文献：
  名称：

  [EN] ANALGESIC THAT BINDS FILAMIN A
  [FR] ANALGÉSIQUE QUI SE LIE À LA FILAMINE A

  摘要：

  公开了一种化合物、组合物及方法，能够提供镇痛效果。所考虑的化合物具有与式A相对应的结构，其中A、B、X、R1、R2、R7和R8以及虚线均在定义范围内。

  公开号：

  WO2010051374A1

文献信息

• [EN] A METHOD OF INHIBITING TAU PHOSPHORYLATION<br/>[FR] MÉTHODE POUR INHIBER LA PHOSPHORYLATION DE LA PROTÉINE TAU
  申请人：PAIN THERAPEUTICS INC

  公开号：WO2014011917A2

  公开（公告）日：2014-01-16

  A method of inhibiting phosphorylation of the tau protein and/or a TLR4-mediated immune response is disclosed. The method contemplates administering to cells in recognized need thereof such as cells of the central nervous system an effective amount of a of a compound or a pharmaceutically acceptable salt thereof that binds to a pentapeptide of filamin A (FLNA) of SEQ ID NO: 1, and contains at least four of the six pharmacophores of FIGS. 35-40.

  揭示了一种抑制tau蛋白的磷酸化和/或TLR4介导的免疫反应的方法。该方法考虑向认可需要的细胞，如中枢神经系统的细胞，施用有效量的结合到filamin A（FLNA）的五肽的化合物或其药用可接受的盐，该五肽的SEQ ID NO: 1，并且至少包含图35-40中的六个药效团中的四个。
• [EN] METHOD FOR INHIBITING GROWTH OF CANCER CELLS<br/>[FR] PROCÉDÉ POUR INHIBER LA CROISSANCE DE CELLULES CANCÉREUSES
  申请人：PAIN THERAPEUTICS INC

  公开号：WO2015054027A1

  公开（公告）日：2015-04-16

  1 A method of inhibiting the growth of cancer cells is disclosed in which cancer cells that contain an enhanced amount relative to non-cancerous cells of one or more of phosphorylated mTOR, Aktl, ERK2 and serine2152-phosphorylated filamin A are contacted with an FLNA-binding effective amount of a compound or a pharmaceutically acceptable salt thereof that binds to the pentapeptide of filamin A (FLNA) of SEQ ID NO: 1 and exhibits at least about 60 percent of the FITC- labeled naloxone binding amount when present at a 10 μΜ concentration and using unlabeled naloxone as the control inhibitor at the same concentration. A compound that binds to the FLNA pentapeptide preferably also contains at least four of the six pharmacophores of Figs. 19-24.

  本发明揭示了一种抑制癌细胞生长的方法，其中将相对于非癌细胞含有增强量的一个或多个磷酸化mTOR、Aktl、ERK2和丝氨酸2152-磷酸化filamin A的癌细胞与与filamin A（FLNA）的SEQ ID NO: 1的五肽结合并且在10μΜ浓度下至少表现出FITC标记的纳洛酮结合量的60％的化合物或其药学上可接受的盐接触。优选结合到FLNA五肽的化合物还包含Figs. 19-24中的六个药效团中的至少四个。
• ANALGESIC THAT BINDS FILAMIN A
  申请人：Burns Barbier Lindsay

  公开号：US20100279997A1

  公开（公告）日：2010-11-04

  A compound, composition and method are disclosed that can provide analgesia. A contemplated compound has a structure that corresponds to Formula A, wherein A, B, X, R 1 , R 2 , R 7 and R 8 , and the dashed lines are defined within.

  公开了一种可以提供镇痛作用的化合物、组合物和方法。考虑到的化合物具有与A公式相对应的结构，其中A、B、X、R1、R2、R7和R8以及虚线在其中定义。
• Method of inhibiting tau phosphorylation
  申请人：Wang Hoau-Yan

  公开号：US10017736B2

  公开（公告）日：2018-07-10

  A method of inhibiting phosphorylation of the tau protein and/or a TLR4-mediated immune response is disclosed. The method contemplates administering to cells in recognized need thereof such as cells of the central nervous system an effective amount of a of a compound or a pharmaceutically acceptable salt thereof that binds to a pentapeptide of filamin A (FLNA) of SEQ ID NO: 1, and contains at least four of the six pharmacophores of FIGS. 35-40.

  本发明公开了一种抑制 tau 蛋白磷酸化和/或 TLR4 介导的免疫反应的方法。该方法考虑向有公认需要的细胞如中枢神经系统细胞施用有效量的化合物或其药学上可接受的盐，该化合物或其药学上可接受的盐与 SEQ ID NO: 1 的丝胺 A (FLNA) 五肽结合，并包含图 35-40 六种药效团中的至少四种。
• Alzheimer's disease assay in a living patient
  申请人：Pain Therapeutics, Inc.

  公开号：US10222368B2

  公开（公告）日：2019-03-05

  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, TLR4-FLNA and/or α7nAChR-Aβ42 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 the medicament that is less than the first amount indicates a favorable treatment prognosis.

  本发明公开了一种活体患者阿尔茨海默病（AD）病理检测方法，其中将样品中FLNA捕获蛋白复合物中的α7nAChR或TLR4或Aβ捕获蛋白复合物中的α7nAChR或α7nAChR-FLNA、TLR4-FLNA和/或作为蛋白-蛋白复合物存在的α7nAChR-Aβ42复合物的量与无AD病理的人的标准样品中的量进行比较。如果含量大于标准样本中的含量，则表明存在 AD 病变。还公开了一种预测药物治疗预后的检测方法，其中将上述蛋白或蛋白复合物的量与存在与FLNA五肽结合并含有图7-12中至少四种药效团的药物时的量进行比较。如果在有药物存在的情况下测定的蛋白质或蛋白质复合物的量小于第一量，则表明治疗预后良好。