3-氯-N-(3-氯丙基)-N-甲基丙烷-1-胺 | 2159-66-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-氯-N-(3-氯丙基)-N-甲基丙烷-1-胺
• 英文名称: N,N-bis(3-chloropropyl)methylamine
• 英文别名: N,N-bis(3-chloropropyl)-N-methylamine；N.N-Bis-(3-chlor-propyl)-methylamin；Methyl-bis-<3-chlor-propyl>-amin；N-Methyl-N-bis-(γ-chlorpropyl)-amin；3-chloro-N-(3-chloropropyl)-N-methylpropan-1-amine；N-methyl-bis(3-chloropropyl)amine；1-Propanamine, 3-chloro-N-(3-chloropropyl)-N-methyl-
• CAS: 2159-66-2
• 化学式: C₇H₁₅Cl₂N
• 分子量: 184.109
• InChiKey: RJBAVOBYNRAUEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-氯-N-(3-氯丙基)-N-甲基丙烷-1-胺 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 1-methyl-5,5-dichloro-1-aza-5-stannabicylco{3.3.0(1,5)}octane*HMPA
  参考文献：
  名称：

  Jurkschat, Klaus; Schilling, Jörgen; Mügge, Clemens, Organometallics, 1988, vol. 7, # 1, p. 38 - 46

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(3-羟基丙氨基)-1-丙醇 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 4.0h， 生成 3-氯-N-(3-氯丙基)-N-甲基丙烷-1-胺
  参考文献：
  名称：

  具有位点选择性DNA结合特性的新型二聚双苯并咪唑的合成

  摘要：

  我们描述的双合成（3- {4- [2' - （4-甲氧基苯基）-3- ħ，3' ħ - [5,5'] bibenzimidazolyl -2-基]苯氧基}丙基）甲胺8，其具有对寡核苷酸序列[AT] 4- [GC]-[AT] 4具有高亲和力。

  DOI：

  10.1016/s0040-4039(02)01595-2

文献信息

• DIMER COMPOUNDS, AND USE IN BINDING TOXIC REPEATS OF RNA
  申请人：EXPANSION THERAPEUTICS, INC.

  公开号：US20200207744A1

  公开（公告）日：2020-07-02

  Provided herein are compounds and methods for modulating abnormal repeat expansions of gene sequences. More particularly, provided are dimeric inhibitors of RNA and the uses of such inhibitors in regulating nucleotide repeat expansions, e.g., to treat Myotonic Dystrophy Type 1 (DM1), Myotonic Dystrophy Type 2 (DM2), Fuchs dystrophy, Huntington Disease, Amyotrophic Lateral Sclerosis, or Frontotemporal Dementia.

  本文提供了一些化合物和方法，用于调节基因序列异常重复扩增。更具体地，提供了RNA二聚体抑制剂以及这些抑制剂在调节核苷酸重复扩增方面的用途，例如治疗肌萎缩性脊髓侧索硬化症1型（DM1）、肌萎缩性脊髓侧索硬化症2型（DM2）、Fuchs角膜萎缩症、亨廷顿病、肌萎缩侧索硬化症或额颞型痴呆症。
• Synthesis and Pharmacological Evaluation of Huprine−Tacrine Heterodimers:  Subnanomolar Dual Binding Site Acetylcholinesterase Inhibitors
  作者：Pelayo Camps、Xavier Formosa、Diego Muñoz-Torrero、Julien Petrignet、Albert Badia、M. Victòria Clos

  DOI：10.1021/jm0496741

  日期：2005.3.1

  heterodimers has been developed by connection of huprine Y, a compound with one of the highest affinities for the active site of acetylcholinesterase yet reported, with tacrine, a compound with known affinity for the peripheral site of the enzyme, through a linker of appropriate length to allow simultaneous interaction with both binding sites. These compounds exhibit human acetylcholinesterase and butyrylcholinesterase

  通过将huprine Y（一种对乙酰胆碱酯酶活性位点具有最高亲和力的化合物）与tacrine（一种对酶的外围位点具有已知亲和力的化合物）相连接，开发了一系列的huprine-tacrine异二聚体。具有适当长度的接头，以允许同时与两个结合位点相互作用。这些化合物表现出人类乙酰胆碱酯酶和丁酰胆碱酯酶抑制活性，其IC（50）值分别在亚纳摩尔和低纳摩尔范围内。
• Poly-[(methylimino)trimethylene]
  申请人：Merck & Co., Inc.

  公开号：US04217429A1

  公开（公告）日：1980-08-12

  Novel polymers having a linear backbone which is free from both branching and cross-linking, comprising quaternized nitrogen atoms linked to each other through trimethylene groups. By the term "linear backbone" is meant that the polymer has only acyclic groups, i.e. trimethylene, linking the nitrogen atoms in a single continuous chain; the polymer is free from "branching" when it has no repeating monomer units extending from the polymer backbone; and it is free from "cross-linking" when there is no joining of two linear backbones. These polymers are useful as antimicrobials, flocculating agents, antistatic agents, electroconductive agents for coating paper, chelating agents and bile acid binding agents, as well as in similar applications where their high charge to weight ratio and fully accessible nitrogen atoms can be employed. The polymers are obtained by the polymerization of dihydro-oxazine, reductive alkylation of the resulting polymer, followed by quaternization.

  具有线性骨架且不分支和交联的新型聚合物，包括通过三亚甲基基团相互连接的季铵氮原子。所谓的“线性骨架”是指聚合物仅具有无环基团，即三亚甲基，将氮原子连接在单一连续链中；当聚合物没有从聚合物骨架延伸出的重复单体单元时，它是没有“分支”的；当没有两个线性骨架连接时，它是没有“交联”的。这些聚合物可用作抗微生物、絮凝剂、抗静电剂、涂覆纸张的导电剂、螯合剂和胆酸结合剂，以及类似应用中，它们高电荷重比和完全可接近的氮原子可以被应用。该聚合物是通过二氢噁唑的聚合，随后进行还原烷基化，再进行季铵化而获得的。
• Poly[{alkyl-(3-ammoniopropyl)iminio}trimethylene dihalides] and process
  申请人：Merck & Co., Inc.

  公开号：US04098726A1

  公开（公告）日：1978-07-04

  Novel polymers having a linear backbone which is free from both branching and cross-linking, comprising quaternized nitrogen atoms linked to each other through trimethylene groups. By the term "linear backbone" is meant that the polymer has only acyclic groups, i. e. trimethylene, linking the nitrogen atoms in a single continuous chain; the polymer is free from "branching" when it has no repeating monomer units extending from the polymer backbone; and it is free from "cross-linking" when there is no joining of two linear backbones. These polymers are useful as antimicrobials, flocculating agents, antistatic agents, electroconductive agents for coating paper, chelating agents and bile acid binding agents, as well as in similar applications where their high charge to weight ratio and fully accessible nitrogen atoms can be employed. The polymers are obtained by the polymerization of dihydro-oxazine, reductive alkylation of the resulting polymer, followed by quaternization.

  具有线性骨架的新型聚合物，其不具有分支和交联，包括通过三亚甲基基团相互连接的季铵氮原子。所谓“线性骨架”是指聚合物仅具有无环基团，即三亚甲基，将氮原子在单一连续链中连接起来；当聚合物没有从聚合物骨架延伸的重复单体单元时，它是不具有“分支”的；当没有连接两个线性骨架时，它是不具有“交联”的。这些聚合物可用作抗微生物、絮凝剂、抗静电剂、用于涂覆纸张的导电剂、螯合剂和胆酸结合剂，以及在类似应用中，它们的高电荷重比和完全可访问的氮原子可以被利用。该聚合物是通过二氢噁唑的聚合、得到的聚合物的还原烷基化，随后进行季铵化而获得的。
• Process for preparing monomer of bile acid sequestrant polymer
  申请人：Merck & Co., Inc.

  公开号：US04093657A1

  公开（公告）日：1978-06-06

  The invention disclosed herein relates to a novel process for preparing the monomer, 3-[N-(3-chloropropyl)methylamino]-N,N,N-trimethyl-propan-1-aminium chlorid e, which comprises reacting N,N-bis(3-chloropropyl)methylamine with trimethylamine. The 3,3-ionene monomer thus obtained is a key intermediate for making the linear, unbranched, non-cross-linked polymer, poly-[methyl-(3-trimethylammoniopropyl)imino}trimethylene dichloride], which is valuable as an oral bile acid sequestrant.

  本发明涉及一种制备单体3-[N-(3-氯丙基)甲基氨基]-N,N,N-三甲基丙基-1-铵盐的新工艺，其中包括将N,N-双(3-氯丙基)甲基胺与三甲胺反应。因此得到的3,3-离子单体是制备线性、非支链、非交联聚合物聚-[甲基-(3-三甲基胺基丙基)亚胺}三亚甲基二氯化物]的关键中间体，该聚合物作为口服胆酸吸附剂具有重要价值。