naphthalene-2-sulfonic acid (3-bromo-propyl)-amide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: naphthalene-2-sulfonic acid (3-bromo-propyl)-amide
• 英文别名: N-(3-bromopropyl)naphthalen-2-sulfonamide；N-(3-bromopropyl)naphthalene-2-sulfonamide
• 化学式: C₁₃H₁₄BrNO₂S
• 分子量: 328.23
• InChiKey: VVOTZAIHZNHVDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  哌嗪 、 naphthalene-2-sulfonic acid (3-bromo-propyl)-amide 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以79%的产率得到N,N'-(3,3'-(piperazine-1,4-diyl)bis(propane-3,1-diyl))dinaphthalene-2-sulfonamide
  参考文献：
  名称：

  In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase

  摘要：

  A structure-based virtual screening of commercial compounds was carried out on the HCV NS3 helicase structure, with the aim to identify novel inhibitors of HCV replication. Among a selection of 13 commercial structures, one compound was found to inhibit the subgenomic HCV replicon in the low micromolar range. Different series of new piperazine-based analogues were designed and synthesised, and among them, several novel structures exhibited antiviral activity in the HCV replicon assay. Some of the new compounds were also found to inhibit HCV NS3 helicase function in vitro, and one directly bound NS3 with a dissociation constant of 570 +/- 270 nM. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.10.043
• 作为产物：
  描述：

  3-溴丙胺氢溴酸盐 、 2-萘磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 naphthalene-2-sulfonic acid (3-bromo-propyl)-amide
  参考文献：
  名称：

  SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS

  摘要：

  公开了一种硫酰胺衍生物及其作为活性成分用于预防或治疗精神疾病的药物组合物。所述衍生物在作为血清素、去甲肾上腺素和多巴胺的三重再摄取抑制剂方面非常有效，因此可用于有效地治疗精神疾病。

  公开号：

  EP4159718A1

文献信息

• SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE
  申请人：Van Emelen Kristof

  公开号：US20100234353A1

  公开（公告）日：2010-09-16

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , R 3 , R 4 , R 5 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  本发明涉及一种新型化合物的公式（I），其中n、m、t、R1、R2、R3、R4、R5、L、Q、X、Y、Z和具有定义的含义，具有组蛋白去乙酰化酶抑制酶活性；它们的制备，含有它们的组合物以及它们作为药物的用途。
• Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase
  申请人：Van Emelen Kristof

  公开号：US20120178741A1

  公开（公告）日：2012-07-12

  This invention comprises the novel compounds of formula (I) wherein n, m, t, R 1 , R 2 , R 3 , R 4 , R 5 , L, Q, X, Y, Z and have defined meanings, having histone deacetylase inhibiting enzymatic activity; their preparation, compositions containing them and their use as a medicine.

  该发明涉及一种新型化合物，其化学式为（I），其中n，m，t，R1，R2，R3，R4，R5，L，Q，X，Y，Z等均有定义，具有组蛋白去乙酰化酶抑制酶活性；该化合物的制备方法，包含该化合物的组合物以及其作为药物的用途。
• SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS
  申请人：Daegu-Gyeongbuk Medical Innovation Foundation

  公开号：EP4159718A1

  公开（公告）日：2023-04-05

  Disclosed are a sulfonamide derivative and a pharmaceutical composition comprising same as an active ingredient for use in preventing or treating mental illness. The derivative is superbly effective in a triple reuptake inhibitor of serotonin, norepinephrine, and dopamine, and thus can be effectively used in treating mental illness.

  公开了一种硫酰胺衍生物及其作为活性成分用于预防或治疗精神疾病的药物组合物。所述衍生物在作为血清素、去甲肾上腺素和多巴胺的三重再摄取抑制剂方面非常有效，因此可用于有效地治疗精神疾病。
• US7767679B2
  申请人：——

  公开号：US7767679B2

  公开（公告）日：2010-08-03
• US8163733B2
  申请人：——

  公开号：US8163733B2

  公开（公告）日：2012-04-24