SKF 513 | 40737-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: SKF 513
• 英文别名: benzyl-(2-chloro-ethyl)-(2-phenoxy-ethyl)-amine；Benzyl-(2-chlor-aethyl)-(2-phenoxy-aethyl)-amin；N-benzyl-N-(2-chloroethyl)-2-phenoxyethanamine
• CAS: 40737-56-2
• 化学式: C₁₇H₂₀ClNO
• 分子量: 289.805
• InChiKey: VPQDAMSKYJKQPT-UHFFFAOYSA-N

物化性质

• 沸点：
  371.7±27.0 °C(Predicted)
• 密度：
  1.119±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  SKF 513 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 6-Oxo-1-[2-(2-phenoxy-ethylamino)-ethyl]-1,6-dihydro-pyridazine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis, antihypertensive and α-adrenoceptor activity of novel 2-aminoalkyl-3(2H)-pyridazinones

  摘要：

  A number of 2-phenoxyalkylaminoalkyl- and 2-[1,4]benzodioxanylmethylaminoalkyl-3(2H)-pyridazinones were synthesized and tested for hypotensive and antihypertensive activity as well as for alpha-1- and alpha-2-adrenoceptor binding affinities. Some derivatives, eg 5.5, 5.9, 5.12, 6.4 and 6.10, showed strong hypotensive/antihypertensive effect and high affinity for alpha-2- and alpha-1-adrenoceptors. Compound 5.5 was selected for clinical study. In its mode of action a potassium channel opening activity may also be involved.

  DOI：

  10.1016/0223-5234(92)90098-l

文献信息

• Synthesis and Hypotensive Activity of Some Heterocyclic Analogues of GYKI-12 743
  作者：Péter Mátyus、Endre Kasztreiner、Eszter Diesler、Ágnes Behr、Ildikó Varga、Judit Kosáry、György Rabloczky、László Jaszlits

  DOI：10.1002/ardp.19943270902

  日期：——

  [1,4]Benzodioxanylmethyl‐, [1,4]benzodioxanylmethylaminopropyl‐ and phenoxyethylaminoethyl‐substituted lactams were synthesised and their hypotensive activity was investigated. Some of these compounds show moderate to high hypotensive effect, but they had more toxic and/or side effects than GYKI‐12 743.

  [1,4] Benzodioxanylmethyl, [1,4] benzodioxanylmethylaminopropyl 和苯氧乙基氨基乙基取代的内酰胺被合成并研究了它们的降压活性。其中一些化合物显示出中度至高度的降压作用，但它们的毒性和/或副作用比 GYKI ‐ 12 743 更大。
• DIMETHOXYPHENYL INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2
  申请人：AUSPEX PHARMACEUTICALS, INC.

  公开号：US20180036260A1

  公开（公告）日：2018-02-08

  Described are dimethoxyphenyl inhibitors of VMAT2, pharmaceutical compositions thereof, and methods of use thereof.

  本文描述了VMAT2的二甲氧基苯酚抑制剂，其药物组成物及使用方法。
• Dimethoxyphenyl inhibitors of vesicular monoamine transporter 2
  申请人：AUSPEX PHARMACEUTICALS, INC.

  公开号：US10722479B2

  公开（公告）日：2020-07-28

  Described are dimethoxyphenyl inhibitors of VMAT2, pharmaceutical compositions thereof, and methods of use thereof.

  描述了 VMAT2 的二甲氧基苯基抑制剂、其药物组合物及其使用方法。
• Synthesis, antihypertensive and α-adrenoceptor activity of novel 2-aminoalkyl-3(2H)-pyridazinones
  作者：P Mátyus、J Kosáry、E Kasztreiner、N Makk、E Diesler、K Czakó、G Rabloczky、L Jaszlits、E Horváth、Z Tömösközi、G Cseh、E Horváth、P Arányi

  DOI：10.1016/0223-5234(92)90098-l

  日期：1992.3

  A number of 2-phenoxyalkylaminoalkyl- and 2-[1,4]benzodioxanylmethylaminoalkyl-3(2H)-pyridazinones were synthesized and tested for hypotensive and antihypertensive activity as well as for alpha-1- and alpha-2-adrenoceptor binding affinities. Some derivatives, eg 5.5, 5.9, 5.12, 6.4 and 6.10, showed strong hypotensive/antihypertensive effect and high affinity for alpha-2- and alpha-1-adrenoceptors. Compound 5.5 was selected for clinical study. In its mode of action a potassium channel opening activity may also be involved.