S-methyl-(2,6-dichlorophenyl)isothiouronium iodide | 27806-88-8

• 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: S-methyl-(2,6-dichlorophenyl)isothiouronium iodide
• 英文别名: [Amino(methylsulfanyl)methylidene]-(2,6-dichlorophenyl)azanium;iodide
• CAS: 27806-88-8
• 化学式: C₈H₈Cl₂N₂S*HI
• 分子量: 363.049
• InChiKey: WTOZNIZXCQOZTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-methyl-(2,6-dichlorophenyl)isothiouronium iodide 以31%的产率得到
  参考文献：
  名称：

  ROUOT B.; LECLERC G.; WERMUTH C.-G.; MIESCH F., EUR. J. MED. CHEM., 1978, 13, NO 4, 337-342

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二氯苯基硫脲 、 碘甲烷 以 丙酮 为溶剂， 反应 2.0h， 以71%的产率得到S-methyl-(2,6-dichlorophenyl)isothiouronium iodide
  参考文献：
  名称：

  A Versatile Synthesis of NovelN,N,N″-Trisubstituted Guanidines

  摘要：

  N,N,N″-三取代胍（大部分是N″-芳基-N-氮杂环烷羧基亚胺）通常以良好的产率通过以下步骤制备：将单取代硫脲与甲基碘在甲醇或丙酮中进行S-甲基化反应，然后将所得的甲基氨基甲亚胺硫醇氢碘酸盐与二级胺在沸腾的叔丁醇或丙酮腈中反应。

  DOI：

  10.1055/s-1988-27606

文献信息

• Amidines and related compounds. 6. Structure-activity relations of antihypertensive and antisecretory agents related to clonidine
  作者：Timothy Jen、Helene Van Hoeven、William Groves、Richard A. McLean、Bernard Loev

  DOI：10.1021/jm00235a020

  日期：1975.1

  and antisecretory activities with various structural modifications of the antihypertensive agent clonidine (2-(2,6-dichlorophenylimino)imidazolidine) are described. Eleven chemical classes of compounds containing an "amidine" moiety were prepared in this study. The antihypertensive activity of these compounds was evaluated in metacorticoid hypertensive rats and unanesthetized neurogenic hypertensive

  描述了抗高血压和抗分泌活性与抗高血压药可乐定（2-（2,6-二氯苯基亚氨基）咪唑烷）的各种结构修饰的相关性。在这项研究中，制备了11个化学类别的含有“ am”部分的化合物。口服给药后，在肾上腺皮质类固醇高血压大鼠和未麻醉的神经源性高血压犬中评估了这些化合物的降压活性。通过测量pH和胃分泌物的量来评估瘘管大鼠的抗分泌活性。2-（2,6-二甲基苯基亚氨基）咪唑烷和2-（2,6-二氯苯基亚氨基）吡咯烷这两种化合物是具有最小降压活性的特别有效的抗分泌剂。
• 2,6-Dichlorophenyl-substituted amino-imidazole derivatives, processes of preparing such derivatives and pharmaceutical preparations comprising said derivatives
  申请人：Farmos-Yhtyma Oy

  公开号：EP0008150A2

  公开（公告）日：1980-02-20

  The 2,6-dichlorphenyl-substituted amino-imidazole derivatives 1-(2',6'-dichlorphenyl)-2-amino-4-methyl-imidazole, 2-(2',6'-dichloroanilino)-4-methyl-imidazole, their non-toxic, pharmaceutically acceptable, acid addition salts and mixtures thereof, exhibit excellent anti-hypertensive and anti-ulcer activities which makes the derivatives particularly suitable for treatment of high blood pressure and gastric ulcers in mammals. The derivatives may be prepared in either of two processes. The first process involves the sequential reaction of a known starting material with ammonia and a halogenated acetone which may be followed by separation of the formed isomers. The second process involves the decarboxylation of the novel intermediates 4-[1-(2',6'-dichlorphenyl)-2-amino)]-imidazoleacetic acid or 4-[2-(2',6'-dichloranilino)]-imidazoleacetic acid or mixtures thereof. The derivatives are employed in an effective amount and are typically combined with a pharmaceutical carrier. Administration of the derivatives may be accomplished either orally or parenterally.

  2,6-二氯苯基取代的氨基咪唑衍生物 1-(2',6'-二氯苯基)-2-氨基-4-甲基-咪唑、2-(2',6'-二氯苯胺基)-4-甲基-咪唑、它们的无毒、药学上可接受的酸加成盐及其混合物表现出卓越的抗高血压和抗溃疡活性，这使得这些衍生物特别适用于治疗哺乳动物的高血压和胃溃疡。 这些衍生物可以通过两种工艺中的任何一种来制备。第一种工艺是将已知的起始原料与氨和卤代丙酮进行连续反应，然后分离形成的异构体。第二个过程是新型中间体 4-[1-(2',6'-二氯苯基)-2-氨基)]-咪唑乙酸或 4-[2-(2',6'-二氯苯胺)]-咪唑乙酸或其混合物的脱羧反应。 这些衍生物以有效量使用，通常与药物载体结合。这些衍生物可以口服或肠外给药。
• Optically active derivatives of imidazolines. .alpha.-Adrenergic blocking properties
  作者：Fu-Lian Hsu、Akihiko Hamada、Mark E. Booher、H. Fuder、P. N. Patil、Duane D. Miller

  DOI：10.1021/jm00185a017

  日期：1980.11

  The synthesis and alpha-adrenergic blocking activity of a series of optically active 2,4-disubstituted imidazolines are presented. The substituted analogues of naphazoline, tolazoline, and clonidine possess moderate alpha-adrenergic blocking activity with -log KB values in the range from 4.77 to 6.57. The differences between the alpha-adrenergic blocking activity of the stereoisomers of the 2,4-disubstituted imidazolines were small or insignificant in the rabbit aortic tissue preparations.
• HSU F.-L.; HAMADA AKIHIKO; BOOHER M. E.; FUDER H.; PATIL P. N.; MILLER D.+, J. MED. CHEM., 1980, 23, NO 11, 1232-1235
  作者：HSU F.-L.、 HAMADA AKIHIKO、 BOOHER M. E.、 FUDER H.、 PATIL P. N.、 MILLER D.+

  DOI：——

  日期：——
• TIMMERMANS P. B. M. W. M.; VAN ZWIETEN P. A.; SPECKAMP W. N., REC. TRAV. CHIM., 1978, 97, NO 2, 51-56
  作者：TIMMERMANS P. B. M. W. M.、 VAN ZWIETEN P. A.、 SPECKAMP W. N.

  DOI：——

  日期：——