N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-methoxyphenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamine
• 英文别名: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethanamine
• 化学式: C₂₄H₃₁NO₄
• 分子量: 397.5
• InChiKey: AGIYXPDLWJRDFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF
  申请人：Stockwell Brent R.

  公开号：US20100022637A1

  公开（公告）日：2010-01-28

  Small molecule screening via high-throughput screening (HTS) methods was employed to identify compounds useful for treating or preventing cancer (such as compounds that enable cells to overcome E6-oncoprotein-mediated drug resistance) or neurodegenerative disorders (such as Huntington's disease, HD). Compounds were identified that potentiate the lethality of anti-tumor agents as well as rescue a disease-state lethality. These compounds are acylated secondary amines referred to herein as indoxins and revertins.

  高通量筛选（HTS）方法通过小分子筛选，用于鉴定可用于治疗或预防癌症（例如使细胞克服E6致癌蛋白介导的药物耐药性的化合物）或神经退行性疾病（例如亨廷顿病，HD）的化合物。已鉴定出可增强抗肿瘤药物的致死性并挽救疾病状态致死性的化合物。这些化合物是称为indoxins和revertins的酰化次级胺。
• [EN] IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF<br/>[FR] IDENTIFICATION DE COMPOSES ANTICANCEREUX ET COMPOSES POUR LE TRAITEMENT DE LA MALADIE DE HUNTINGTON, ET PROCEDES DE TRAITEMENT CORRESPONDANTS
  申请人：UNIV COLUMBIA

  公开号：WO2007041341A2

  公开（公告）日：2007-04-12

  [EN] Small molecule screening via high-throughput screening (HTS) methods was employed to identify compounds useful for treating or preventing cancer (such as compounds that enable cells to overcome E6-oncoprotein-mediated drug resistance) or neurodegenerative disorders (such as Huntington's disease, HD). Compounds were identified that potentiate the lethality of anti-tumor agents as well as rescue a disease-state lethality. These compounds are acylated secondary amines referred to herein as indoxins and revertins.
  [FR] Un criblage de petites molécules via des procédés de criblage à haut rendement (HTS) est employé pour identifier des composés utilisés pour le traitement ou la prévention du cancer (tels que des composés permettant aux cellules de vaincre la résistance aux médicaments régulés par E6-oncoprotéine) ou des troubles de neurodégénérescence tels que la maladie de Huntington, HD). On a identifié des composés qui potentialisent la léthalité d'agents antitumoraux et qui sauvent une léthalité d'état pathologique. Ces composés sont des amines secondaires acylées désignées dans la description par indoxines et révertines.