1-氰基-2-(4-甲基苯基)胍 | 41410-40-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-氰基-2-(4-甲基苯基)胍
• 英文名称: N-cyano-N'-(4-methylyphenyl)guanidine
• 英文别名: p-Methylphenyldicyandiamid；1-(p-Tolyl)-3-cyan-guanidin；4-Methylphenyldicyandiamid；N-cyano-N'-p-tolyl-guanidine；N-Cyan-N'-p-tolyl-guanidin；1-cyano-3-(p-tolyl)-guanidine；p-Tolyl-dicyandiamid；1-cyano-2-(4-methylphenyl)guanidine
• CAS: 41410-40-6
• 化学式: C₉H₁₀N₄
• 分子量: 174.205
• InChiKey: YDVMZVMJTSSJHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氰基-2-(4-甲基苯基)胍 在 盐酸 、 苯基硫脲 作用下， 生成 p-tolylcarbamimidoyl-thiourea
  参考文献：
  名称：

  Joshua,C.P.; Rajan,V.P., Australian Journal of Chemistry, 1975, vol. 28, p. 427 - 432

  摘要：

  DOI：
• 作为产物：
  描述：

  乙烷,三氯氟- 生成 1-氰基-2-(4-甲基苯基)胍
  参考文献：
  名称：

  KREUTZBERGER, ALFRED;BALBACH, STEFAN, CHEM.-ZTG., 114,(1990) N2, C. 387-393

  摘要：

  DOI：

文献信息

• Repurposing N,N'-bis-(arylamidino)-1,4-piperazinedicarboxamidines: An unexpected class of potent inhibitors of cholinesterases
  作者：Anne Loesche、Jana Wiese、Sven Sommerwerk、Vivienne Simon、Wolfgang Brandt、René Csuk

  DOI：10.1016/j.ejmech.2016.09.051

  日期：2017.1

  therapeutics and to reduce the time-to-market time-span. Following this concept a small library of compounds was screened for their ability to act as inhibitors of acetyl- and butyrylcholinesterase. Picloxydine, an established antiseptic, was shown to be an inhibitor for both enzymes. Systematic variation of the aryl substituents led to analogs possessing almost the same good properties as gold standard galantamine

  重新调整药物用途（=重新放置药物）是一种有效的方法，可以降低开发新疗法的成本并缩短上市时间。根据这个概念，筛选了小的化合物文库作为乙酰基和丁酰胆碱酯酶抑制剂的能力。已证明的吡氯西丁是一种杀菌剂，是两种酶的抑制剂。芳基取代基的系统变化导致类似物具有与金标准加兰他敏氢溴酸盐几乎相同的良好性能。
• SYNTHESIS OF 3-ALKOXY-(SUBSTITUTED ARYL) BIGUANIDINO-4-METHYL-2,3-DIHYDRO(1H)-1,5-BENZODIAZEPINE-2-ONES AND RELATED COMPOUNDS
  作者：Lalit Kumar Baregama、Bhawani Singh、G.L. Talesara

  DOI：10.1515/hc.2002.8.6.607

  日期：2002.1

  a unique structural moiety associated with diverse biological activities such as tranquilizer ' , neuroleptic agents , antineoplastic ,6 , H1V-1 RT inhibitors ', anti tumor 1 0 , ant icancer" , antimicrobial , antileukemic , antifungal ' , a n t i h i s t a m i n e " and anti-HBV 6 etc. make them alternative targets for pharmacological development. Librium 7 was the first trade name of benzodiazepine

  3-烷氧基邻苯二甲酰亚胺戊烷 2,4-二酮 5a-c、3-烷氧基氨基戊烷 2,4-二酮盐 7a-c 和 3-烷氧基 5（对位取代芳基）双胍基戊烷 2,4-二酮 10a-o 与邻-二甲苯中的苯二胺得到相应的 3-烷氧基邻苯二甲酰亚胺 2,4-二甲基 (3H) 1,5-苯二氮卓类 6a-c, 3-烷氧基氨基 2,4-二甲基 (3H) 1,5 苯二氮卓类 8a-c, 3-烷氧基 (p-取代的芳基)双胍基 2,4-二甲基 (3H) 1,5-苯二氮卓类药物。引言苯二氮卓系统是一种独特的结构部分，与多种生物活性相关，如镇静剂 ' 、精神安定剂 、抗肿瘤 6 、H1V-1 RT 抑制剂 '、抗肿瘤 1 0 、抗癌“、抗菌、抗白血病、抗真菌 ' 、抗组胺“和抗HBV 6等。使它们成为药理学开发的替代目标。Librium 7 是 1960 年推出的苯二氮卓类镇静剂的第一个商品名。从那时起，苯二氮卓类化学的研
• Process of Preparation of Proguanil
  申请人：Sathe Dhananjay Govind

  公开号：US20110263901A1

  公开（公告）日：2011-10-27

  Disclosed herein is the process for the preparation of 1-(4-chlorophenyl)-5-isopropyl-biguanide hydrochloride (Proguanil hydrochloride), Formula-I, an antimalarial agent.

  本文揭示了1-(4-氯苯基)-5-异丙基双胍盐酸盐(盐酸普罗硅嗪)，公式-I，一种抗疟疾药物的制备过程。
• v.Walther; Grieshammer, Journal fur praktische Chemie (Leipzig 1954), 1915, vol. <2>92, p. 251
  作者：v.Walther、Grieshammer

  DOI：——

  日期：——
• Discovery and Biological Evaluation of Novel Cyanoguanidine P2X₇ Antagonists with Analgesic Activity in a Rat Model of Neuropathic Pain
  作者：Arturo Perez-Medrano、Diana L. Donnelly-Roberts、Prisca Honore、Gin C. Hsieh、Marian T. Namovic、Sridhar Peddi、Qi Shuai、Ying Wang、Connie R. Faltynek、Michael F. Jarvis、William A. Carroll

  DOI：10.1021/jm8015848

  日期：2009.5.28

  We disclose the design of a novel series of cyanoguanidines that are potent (IC50 similar or equal to 10-100 nM) and selective (>= 100-fold) P2X(7) receptor antagonists against the other P2 receptor subtypes such as the P2Y(2), P2X(4), and P2X(3). We also found that these P2X(7) antagonists effectively reduced nociception in a rat model of neuropathic pain (Chung model). Particularly, analogue 53 proved to be effective in the Chung model, with an ED50 of 38 mu mol/kg after intraperitoneal administration. In addition compound 53 exhibited antiallodynic effects following oral administration and maintained its efficacy following repeated administration in the Chung model. These results suggest an important role of P2X(7) receptors in neuropathic pain and therefore a potential use of P2X(7) antagonists as novel therapeutic tools for the treatment of this type of pain.