苯乙基胍 | 538-69-2

• 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: 苯乙基胍
• 英文名称: (2-phenylethyl)guanidine
• 英文别名: phenethylguanidine；2-Phenylethylguanidin；1-(2-phenylethyl)guanidine；Phenaethyl-guanidin；Phenethylguanidin；1-phenethylguanidine；ALG-1075；2-(2-phenylethyl)guanidine
• CAS: 538-69-2
• 化学式: C₉H₁₃N₃
• 分子量: 163.222
• InChiKey: GWKLNCUXOUHWLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  苯乙基胍 在 氧气 、 氧化亚氮 作用下， 以 乙酸乙酯 为溶剂， 反应 7.5h， 以9%的产率得到1-亚硝基-2-苯基乙基脲
  参考文献：
  名称：

  摘要：

  The chemistry of N-hydroxyguanidines, focusing on photo-sensitized oxygenation and reaction with nitric oxide (NO), was examined. In the former reaction, a urea derivative wits obtained as the main product together with the generation of NO. On the other hand, in the latter case, oxidative nitrosation occurred under aerobic conditions to give a nitrosourea derivative. which wits also obtained from urea by the same treatment.

  DOI：

  10.1002/1522-2675(200209)85:9<2636::aid-hlca2636>3.0.co;2-l
• 作为产物：
  描述：

  2-苯乙胺盐酸盐 在 sodium hydroxide 作用下， 生成 苯乙基胍
  参考文献：
  名称：

  Hypoglycemic Agents. I.¹ Chemical Properties of β-Phenethylbiguanide.² A New Hypoglycemic Agent³

  摘要：

  DOI：

  10.1021/ja01518a052

文献信息

• 12-EPI PLEUROMUTILINS
  申请人：NABRIVA THERAPEUTICS AG

  公开号：US20160332963A1

  公开（公告）日：2016-11-17

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a salt and/or solvate, wherein the naturally occurring pleuromutilin is of formula processes for the preparation of such compounds and their use as pharmaceuticals.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫基)-乙酰基]-12-epi-木替林，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木替林中选择的一种化合物，其中12-epi-木替林的特征在于木替林环在位置12被两个取代基取代，木替林环在位置12的第一个取代基是一个甲基基团，该甲基基团的立体化学与天然存在的普鲁木替林环在位置12的甲基基团的立体化学相反，木替林环在位置12的第二个取代基是一个含有至少一个氮原子的碳氢基团，木替林环的所有其他取代基与天然存在的普鲁木替林环中相应位置的取代基的立体化学相同；可选地以盐和/或溶剂的形式存在，其中天然存在的普鲁木替林的化学式为 制备这类化合物的方法以及它们作为药物的用途。
• [EN] NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS<br/>[FR] NOUVELLES AMIDINES DE THIOPHENE, COMPOSITIONS DE CES AMIDINES ET PROCEDE POUR TRAITER DES MALADIES ET DES ETATS MEDIES PAR LE COMPLEMENT
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2003099805A1

  公开（公告）日：2003-12-04

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula (I) or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4 and R7 are defined in the specification, Z is SO or SO2, and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本规范中定义的芳香族或杂环芳基。
• Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20040009995A1

  公开（公告）日：2004-01-15

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 and R 7 are defined in the specification, Z is SO or SO 2 , and Ar is an aromatic or heteroaromatic group as defined herein.

  揭示了一种治疗急性或慢性疾病症状的方法，该方法通过补体级联的经典途径介导，包括向需要此类治疗的哺乳动物施用公式I的化合物的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中在规范中定义了R1、R2、R3、R4和R7，Z为SO或SO2，Ar为本文中定义的芳香族或杂环芳基。
• [EN] GUANIDINE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE GUANIDINE ET LEUR UTILISATION
  申请人：HANALL BIOPHARMA CO LTD

  公开号：WO2015160220A1

  公开（公告）日：2015-10-22

  The present invention relates to guanidine compounds for inhibiting mitochondrial oxidative phosphorylation (OXPHOS) and use thereof. More specifically, the present invention relates to a pharmaceutical composition for preventing or treating a OXPHOS-related disease, particularly cancer by inhibiting mitochondrial oxidative phosphorylation and reprogramming cellular metabolism.

  本发明涉及用于抑制线粒体氧化磷酸化（OXPHOS）的胍啉化合物及其使用。更具体地，本发明涉及一种用于预防或治疗与OXPHOS相关的疾病，特别是通过抑制线粒体氧化磷酸化和重编程细胞代谢的药物组合物。
• Production of new amilorides as potent inhibitors of mitochondrial respiratory complex I
  作者：Masatoshi Murai、Sayako Habu、Sonomi Murakami、Takeshi Ito、Hideto Miyoshi

  DOI：10.1080/09168451.2015.1010479

  日期：2015.7.3

  Amilorides, well-known inhibitors of Na(+)/H(+) antiporters, have also shown to inhibit bacterial and mitochondrial NADH-quinone oxidoreductase (complex I). Since the membrane subunits ND2, ND4, and ND5 of bovine mitochondrial complex I are homologous to Na(+)/H(+) antiporters, amilorides have been thought to bind to any or all of the antiporter-like subunits; however, there is no direct experimental

  Amilorides，Na（+）/ H（+）反转运蛋白的著名抑制剂，也显示出抑制细菌和线粒体NADH-醌氧化还原酶（复合体I）的作用。由于牛线粒体复合体I的膜亚基ND2，ND4和ND5与Na（+）/ H（+）反转运蛋白同源，因此阿米洛利被认为与任何或所有反转运蛋白样亚基结合；但是，没有直接的实验证据支持这一观点。光亲和标记法是鉴定牛复合物I中阿米洛利结合位点的有力技术。商业上可获得的阿米洛利，例如5-（N-乙基-N-异丙基）阿米洛利，由于其结合力低，因此不适合用作合成光反应性阿米洛利的设计模板。对牛复合体I的亲和力。因此，我们试图修改市售阿米洛利的结构，以获得更有效的衍生物。我们成功地生产了两个光反应性阿米洛利（PRA1和PRA2），在分子的相对末端具有一个对光不稳定的叠氮基团。