N-cyano-N'-pentyl-guanidine | 95476-68-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-cyano-N'-pentyl-guanidine
• 英文别名: N-Cyan-N'-pentyl-guanidin；Pentyl-dicyandiamid；N-Pentyl-N'-cyanoguanidine；1-Cyan-3-n-amyl-guanidin；1-cyano-2-pentylguanidine
• CAS: 95476-68-9
• 化学式: C₇H₁₄N₄
• 分子量: 154.215
• InChiKey: APWNWLCNQQFPBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  209.7±23.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  N-cyano-N'-pentyl-guanidine 生成 (N-n-Pentylguanyl)thiourea
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  苄胺 生成 N-cyano-N'-pentyl-guanidine 、 2-苄基-1-氰基胍
  参考文献：
  名称：

  Formulation of antiinflammatory drugs

  摘要：

  一种改进的抗炎组合物及治疗炎症的方法，使用抗炎剂（例如吲哚美辛或氧化康）与组选自2-胍基-4-(4-咪唑基)噻唑、2-胍基-4-(2-甲基-4-咪唑基)噻唑、2-(N-苄基-N'-胍基)-4-(2-甲基-4-咪唑基)噻唑、2-(N-戊基-N'-胍基)-4-(2-甲基-4-咪唑基)噻唑和2-胍基-4-[2-(己基氨基)-4-咪唑基]噻唑的组胺H.sub.2拮抗剂的组合治疗炎症。

  公开号：

  US04636498A1

文献信息

• On the anomalous sorption behaviour of chlorhexidine with poly(2-hydroxyethyl methacrylate)
  作者：B S Plaut、B J Meakin、D J G Davies

  DOI：10.1111/j.2042-7158.1980.tb12989.x

  日期：2011.4.12

  General observations of solute: plastic interactions would suggest that the sorption of the cationic preservative, chlorhexidine, with poly (2-hydroxyethyl methacrylate) (PHEMA) is not only unexpected but also atypical in its properties. The polymer and preservative were investigated independently and the sorption of PHEMA with simple solutes, namely benzoic acid, benzocaine and aniline found to exhibit conventional properties. The single exception was the uptake of small amounts of benzocaine and aniline cations at acidic pH's. In order to elucidate the sorption characteristics of chlorhexidine a series of N1-(p-chlorophenyl)-N5-alkylbiguanide acetates were synthesized. The anomalous sorption behaviour observed between PHEMA and the bis biguanide, chlorhexidine, was also found to be characteristic of these monofunctional biguanide derivatives. The extent of the interactions increased with increasing alkyl chain length (R = methyl to n-octyl), this being interpreted in terms of an interaction binding mechanism via the biguanide functional group stabilized by van der Waal's forces between the alkyl chain and the polymer backbone. Atypical sorption behaviour was observed for simple organic cations, biguanide and N1-phenylbiguanide acetate with PHEMA, a possible inference being that this is a general characteristic of all cationic sorption with PHEMA.

  关于溶质：塑料相互作用的总体观察表明，阳离子防腐剂氯己定的吸附与聚（2-羟基乙基甲基丙烯酸酯）（PHEMA）的吸附不仅是出乎意料的，而且在其性质上也是非典型的。研究了聚合物和防腐剂，发现PHEMA与简单溶质（即苯甲酸、苯佐卡因和苯胺）的吸附表现出常规性质。唯一的例外是在酸性pH下，苯佐卡因和苯胺阳离子的小量吸收。为了阐明氯己定的吸附特性，合成了一系列N1-（对氯苯基）-N5-烷基双胍醋酸盐。在PHEMA与双胍，氯己定之间的异常吸附行为也发现是这些单功能双胍衍生物的特征。随着烷基链长（R =甲基至正辛基）的增加，相互作用的程度增加，这被解释为通过双胍功能团介导的相互作用结合机制，该机制通过烷基链与聚合物主链之间的范德华力得到稳定。简单有机阳离子、双胍和N1-苯基双胍醋酸盐与PHEMA的吸附表现出非典型的吸附行为，可能的推断是这是所有阳离子与PHEMA吸附的一般特征。

• 2-guanidino-4-(2-methyl-4-imidazolyl)thiazoles in the treatment of
  申请人：Pfizer Inc.

  公开号：US04591595A1

  公开（公告）日：1986-05-27

  2-Guanidino-4-(2-methyl-4-imidazolyl)thiazole and 2-(N-pentyl-N'-guanidino)-4-(2-methyl-4-imidazolyl)thiazole, histamine-H.sub.2 antagonist useful as a gastric acid antisecretory and antiulcer agents, are also useful per se in the treatment of rheumatoid arthritis.

  2-鸟氨酸基-4-(2-甲基-4-咪唑基)噻唑和2-(N-戊基-N'-鸟氨酸基)-4-(2-甲基-4-咪唑基)噻唑，是一种组织胺H.sub.2拮抗剂，可用于胃酸抗分泌和抗溃疡剂，并且在治疗类风湿性关节炎方面也有用途。
• INHIBITORS OF ASPARTYL PROTEASE
  申请人：Hale Michael R.

  公开号：US20090274650A1

  公开（公告）日：2009-11-05

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一种新的磺胺类化合物，它们是天冬氨酸蛋白酶抑制剂。在一种实施例中，本发明涉及一种新的HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此，可以优势地用作抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法以及筛选具有抗HIV活性的化合物的方法。
• MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF
  申请人：Ahrendt Kateri

  公开号：US20100041719A1

  公开（公告）日：2010-02-18

  This invention relates to inhibitors of mitotic kinesins, particularly KSP, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment of various disorders.

  本发明涉及有丝分裂动力蛋白酶抑制剂，特别是KSP的抑制剂，以及制备这些抑制剂的方法。本发明还提供包括本发明抑制剂的药物组合物，以及利用这些抑制剂和药物组合物治疗各种疾病的方法。
• Mitotic kinesin inhibitors and methods of use thereof
  申请人：Hans Jeremy

  公开号：US20100331283A1

  公开（公告）日：2010-12-30

  This invention relates to inhibitors of mitotic kinesins, particularly KSP, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders.

  本发明涉及有丝分裂动力蛋白酶抑制剂，特别是KSP，以及制备这些抑制剂的方法。本发明还提供了包括本发明抑制剂的药物组合物，以及利用这些抑制剂和药物组合物在治疗和预防各种疾病方面的方法。