N-cyano-N'-(6-(o-methoxyphenoxy)hexyl)-N"-(4-pyridyl)guanidine | 200484-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-cyano-N'-(6-(o-methoxyphenoxy)hexyl)-N"-(4-pyridyl)guanidine
• 英文别名: 1-cyano-2-[6-(2-methoxyphenoxy)hexyl]-3-pyridin-4-ylguanidine
• CAS: 200484-21-5
• 化学式: C₂₀H₂₅N₅O₂
• 分子量: 367.451
• InChiKey: YJMDWQAOFBKNSW-UHFFFAOYSA-N

物化性质

• 沸点：
  521.3±58.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  91.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氨基吡啶 在 吡啶 、 4-二甲氨基吡啶 、 sodium hydride 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 paraffin 为溶剂， 反应 11.0h， 生成 N-cyano-N'-(6-(o-methoxyphenoxy)hexyl)-N"-(4-pyridyl)guanidine
  参考文献：
  名称：

  Novel cyanoguanidines with potent oral antitumour activity

  摘要：

  4-Pyridyl cyanoguanidines with hydrophobic aromatic side chains showed potent antiproliferative activity in the human breast and lung cancer cell lines MCF-7, NYH and H460. In vivo, treatment with N-(6-chlorophenoxyhexyl)-N'-cyano-N "-4-pyridylguanidine (18, 20 mg/kg/day po.), gave a complete remission of tumours in a model of NYH inoculated nude mice. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10152-4

文献信息

• PYRIDYL CYANOGUANIDINE DERIVATIVES
  申请人：Zhang Hesheng

  公开号：US20120309797A1

  公开（公告）日：2012-12-06

  Compounds of formula (I) or pharmaceutically acceptable salts thereof, and use for treating cancer thereof are disclosed, wherein, the definitions of X, Y, R 1 , R 2 and n are described in description.

  公式（I）的化合物或其药用盐的使用，以及用于治疗癌症的方法已被披露，其中，X、Y、R1、R2和n的定义在描述中描述。
• PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF
  申请人：Tianjin Hemay Bio-Tech Co., Ltd.

  公开号：EP2394649A1

  公开（公告）日：2011-12-14

  The compositions formed from pyridyl cyanoguanidines and cyclodextrins, cyclodextrin derivatives and/or surfactants with solubilization, preparation methods and uses thereof.

  由吡啶基氰基胍和环糊精、环糊精衍生物和/或表面活性剂形成的组合物及其溶解、制备方法和用途。
• Combination medicament for treatment of neoplastic diseases
  申请人：——

  公开号：US20030045515A1

  公开（公告）日：2003-03-06

  Pharmaceutical compositions comprising, as a first anti-neoplastic drug, cyanoguanidine IKK inhibitors, and in particular compounds of formula I 1 wherein n is 0, 1 or 2; each R independently represents halogen, trifluoromethyl, hydroxy, C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkoxycarbonyl, nitro, sulfo, cyano, amino or carboxy groups; Q is a straight or branched, saturated or unsaturated C 4-20 divalent hydrocarbon radical; X is a bond, amino, O, S, carbonyl, carbonylamino, aminocarbonyl, oxycarbonyloxy, oxycarbonyl, carbonyloxy, aminocarbonyloxy, aminothiocarbonyloxy, oxycarbonylamino or oxythiocarbonylamino; A is di-(C 1-4 alkoxy)phospinoyloxy, C 1-4 alkoxycarbonyl, C 1-4 alkoxycarbonylamino, C 3-12 carbocyclic ring or C 3-12 heterocarbocyclic ring optionally substituted with one or more R 1 ; R 1 being independently selected from the group consisting of halogen, trifluoromethyl, hydroxy, C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkoxycarbonyl, nitro, cyano, amino, sulfo, carboxy, carboxamido, sulfamoyl or C 1-4 hydroxyalkyl; in combination with a second anti-neoplastic drug are provided.

  药物组合物，作为第一种抗肿瘤药物，包含氰基胍类 IKK 抑制剂，特别是式 I 化合物 1 其中 n为0、1或2 每个 R 独立地代表卤素、三氟甲基、羟基、C 1-4 烷基、C 1-4 烷氧基、C 1-4 烷氧基羰基、硝基、磺基、氰基、氨基或羧基； Q 是直链或支链、饱和或不饱和的 C 4-20 二价烃基； X 是键、氨基、O、S、羰基、羰基氨基、氨基羰基、氧羰基氧基、氧羰基、羰基氧基、氨基羰基氧基、氨基硫代羰基氧基、氧羰基氨基或氧硫代羰基氨基； A 是二-(C 1-4 烷氧基）磷酰氧基、C 1-4 烷氧羰基、C 1-4 烷氧基羰基氨基，C 3-12 碳环或 C 3-12 杂环，可任选被一个或多个 R 1 ; R 1 独立选自由卤素、三氟甲基、羟基、C 1-4 烷基、C 1-4 烷氧基、C 1-4 烷氧基羰基、硝基、氰基、氨基、磺基、羧基、羧酰胺基、氨基磺酰基或 C 1-4 羟烷基；与第二种抗肿瘤药物结合使用。
• COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG
  申请人：LEO PHARMA A/S

  公开号：EP1411984A2

  公开（公告）日：2004-04-28
• Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury
  申请人：Stephenson T. Diane

  公开号：US20050075341A1

  公开（公告）日：2005-04-07

  The present invention provides compositions and methods for the treatment of ischemic-mediated central nervous system disorders or injuries. More particularly, the invention provides a combination therapy for the treatment of a central nervous system ischemic-mediated disorder or injury comprising the administration to a subject of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor.