2-(dimethylamino)ethyl methanesulfonate hydrochloride | 6116-74-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 2-(dimethylamino)ethyl methanesulfonate hydrochloride
• 英文别名: 2-(dimethylamino)ethyl methanesulfonate;hydrochloride
• CAS: 6116-74-1
• 化学式: C₅H₁₃NO₃S*ClH
• 分子量: 203.69
• InChiKey: CRYDUXLWJITARY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.89
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  56.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(dimethylamino)ethyl methanesulfonate hydrochloride 、 3-氨基苯酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到3-(2-(二甲基氨基)乙氧基)苯胺
  参考文献：
  名称：

  Antimalarial 3-arylamino-6-benzylamino-1,2,4,5-tetrazines

  摘要：

  We report on novel 3-arylamino-6-benzylamino-1,2,4,5-tetrazines with potent activity against Plasmodium falciparum. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.036
• 作为产物：
  描述：

  N,N-二甲基乙醇胺 、 甲基磺酰氯 以 乙醚 为溶剂， 反应 65.0h， 以97%的产率得到2-(dimethylamino)ethyl methanesulfonate hydrochloride
  参考文献：
  名称：

  发现吲哚衍生物作为新型和有力的登革热病毒抑制剂

  摘要：

  从DENV血清型2（DENV-2）表型抗病毒筛选中鉴定出3-酰基吲哚衍生物1为新型登革病毒（DENV）抑制剂。广泛的SAR研究导致发现了新的衍生物，这些衍生物具有更高的DENV-2效力以及相对于其他DENV血清型在纳摩尔至微摩尔范围内的活性。除了效力外，在优化过程中还改善了大鼠和人微粒体的理化特性和代谢稳定性。外消旋混合物的手性分离显示出对两种对映异构体之一的明显偏好。此外，将对两种化合物的大鼠药代动力学进行更详细的讨论，证明了这一新系列的泛血清型-DENV抑制剂的潜力。

  DOI：

  10.1021/acs.jmedchem.8b00913

文献信息

• [EN] VIRAL REPLICATION INHIBITORS<br/>[FR] INHIBITEURS DE REPLICATION VIRALE
  申请人：UNIV LEUVEN KATH

  公开号：WO2013045516A1

  公开（公告）日：2013-04-04

  The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及一系列新化合物，通过使用这些新化合物来预防或治疗动物的病毒感染的方法，以及将这些新化合物用作药物，更好地用于治疗或预防病毒感染，特别是感染RNA病毒，更特别是感染属于黄病毒科的病毒，更特别是感染登革病毒。本发明还涉及这些新化合物的药物组合或混合制剂，用作药物的组合或制剂，更好地用于预防或治疗病毒感染。该发明还涉及这些化合物的制备方法。
• Nanostructured Oligo(<i>p</i>-phenylene Vinylene)/Silicate Hybrid Films:  One-Step Fabrication and Energy Transfer Studies
  作者：Keisuke Tajima、Liang-shi Li、Samuel I. Stupp

  DOI：10.1021/ja058610s

  日期：2006.4.1

  Novel hybrid materials containing silicate and charged oligo(p-phenylene vinylene) (OPV) amphiphiles were fabricated in one step by spin casting using evaporation-induced self assembly. The conjugated segments were substituted with trimethylammonium bromide groups at both termini, and tetraethyl orthosilicate served as the silicate precursor. X-ray diffraction scans of the hybrid films revealed Bragg

  包含硅酸盐和带电低聚（对亚苯基亚乙烯基）（OPV）两亲物的新型杂化材料是通过使用蒸发诱导自组装的旋铸一步制造的。共轭链段在两个末端都被三甲基溴化铵基团取代，原硅酸四乙酯作为硅酸盐前体。混合膜的 X 射线衍射扫描显示布喇格衍射峰的 d 间距为 2.76 和 1.37 nm，表明混合结构中存在有序。混合膜的光学性质通过紫外-可见吸收和荧光光谱表征，分子取向通过红外光谱表征。在溶胶-凝胶反应过程中，含有三乙氧基硅烷基团的罗丹明 B 衍生物共价结合到薄膜的硅酸盐网络中。相对于有机成分相同的无序聚合物薄膜，有序杂化薄膜显示罗丹明 B 的发射显着增强，OPV 链段的荧光猝灭也显着增强。这些结果表明，有序和纳米结构的环境导致这些混合膜中有机组分之间的高效能量转移。
• Quarternary Ammonium Compound, Process for Producing the Same, Therapeutic Agent for Cerebrovascular Disorder, and Therapeutic Agent for Heart Disease
  申请人：Takagaki Hidetsugu

  公开号：US20080269345A1

  公开（公告）日：2008-10-30

  A quaternary ammonium compound of the present invention is a quaternary ammonium compound represented by general formula (I) or (I′) (wherein, A represents a linear alkyl group having 1 to 4 carbon atoms, a branched alkyl group having 2 to 4 carbon atoms, a linear alkyl group having 1 to 4 carbon atoms and a hydroxyl group, or a branched alkyl group having 2 to 4 carbon atoms and a hydroxyl group, R 1 to R 3 may be the same or different and represent a linear or branched alkyl group having 1 to 12 carbon atoms, one of R 4 to R 8 represents CO 2 − or SO 3 − , while no more than three of the remaining R 4 to R 8 represent a group selected from the group consisting of a hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, and other R 4 to R 8 represent a hydrogen atom, one of R′ 4 to R′ 8 represents CO 2 H or SO 3 H, no more than three of the remaining R′ 4 to R′ 8 represent a group selected from a protected hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, while other R′ 4 to R′ 8 represent a hydrogen atom, and X − represents an anion capable of forming a salt with a quaternary ammonium group).

  本发明的季铵化合物是由通式（I）或（I'）表示的季铵化合物（其中，A表示具有1至4个碳原子的直链烷基，具有2至4个碳原子的支链烷基，具有1至4个碳原子和一个羟基的直链烷基，或具有2至4个碳原子和一个羟基的支链烷基；R1至R3可以相同或不同，表示具有1至12个碳原子的直链或支链烷基，R4至R8中的一个表示CO2−或SO3−，而其余不超过三个表示从羟基和具有1至4个碳原子的烷氧基组成的群中选择的一种基团，其余的R4至R8表示氢原子；R'4至R'8中的一个表示CO2H或SO3H，而其余不超过三个表示选自受保护的羟基和具有1至4个碳原子的烷氧基的基团，其余的R'4至R'8表示氢原子；X−表示能够与季铵基形成盐的阴离子）。
• VIRAL REPLICATION INHIBITORS
  申请人：KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D

  公开号：US20140213586A1

  公开（公告）日：2014-07-31

  The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.

  本发明涉及一系列新化合物，使用这些新化合物预防或治疗动物的病毒感染的方法，以及这些新化合物的药物用途，更好地用于治疗或预防病毒感染，特别是RNA病毒感染，更特别是属于黄病毒科的病毒感染，更进一步地是登革热病毒感染。本发明还涉及新化合物的药物组成物或复合制剂，以及用于预防或治疗病毒感染的药物组成物或制剂。本发明还涉及化合物的制备方法。
• Quaternary ammonium compound, process for producing the same, therapeutic agent for cerebrovascular disorder, and therapeutic agent for heart disease
  申请人：Activus Pharma Co., Ltd.

  公开号：US07687546B2

  公开（公告）日：2010-03-30

  A quaternary ammonium compound of the present invention is a quaternary ammonium compound represented by general formula (I) or (I′) (wherein, A represents a linear alkyl group having 1 to 4 carbon atoms, a branched alkyl group having 2 to 4 carbon atoms, a linear alkyl group having 1 to 4 carbon atoms and a hydroxyl group, or a branched alkyl group having 2 to 4 carbon atoms and a hydroxyl group, R1 to R3 may be the same or different and represent a linear or branched alkyl group having 1 to 12 carbon atoms, one of R4 to R8 represents CO2− or SO3−, while no more than three of the remaining R4 to R8 represent a group selected from the group consisting of a hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, and other R4 to R8 represent a hydrogen atom, one of R′4 to R′8 represents CO2H or SO3H, no more than three of the remaining R′4 to R′8 represent a group selected from a protected hydroxyl group and an alkoxy group having 1 to 4 carbon atoms, while other R′4 to R′8 represent a hydrogen atom, and X− represents an anion capable of forming a salt with a quaternary ammonium group).

  本发明的季铵化合物是由通式（I）或（I'）表示的季铵化合物（其中，A表示具有1至4个碳原子的线性烷基，具有2至4个碳原子的支链烷基，具有1至4个碳原子和一个羟基的线性烷基，或具有2至4个碳原子和一个羟基的支链烷基，R1至R3可以相同或不同，表示具有1至12个碳原子的线性或支链烷基，R4至R8中的一个表示CO2-或SO3-，而其余的R4至R8中不超过三个表示从羟基和具有1至4个碳原子的烷氧基组成的群中选择的一种基团，其他R4至R8表示氢原子，R'4至R'8中的一个表示CO2H或SO3H，而其余的R'4至R'8中不超过三个表示从受保护的羟基和具有1至4个碳原子的烷氧基组成的群中选择的一种基团，其他R'4至R'8表示氢原子，X-表示能够与季铵基形成盐的阴离子。