N'-[2,6-bis(1-methylethyl)phenyl]-N-(2-dodecyl-2H-tetrazol-5-yl)-N-phenyl-urea

• 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: N'-[2,6-bis(1-methylethyl)phenyl]-N-(2-dodecyl-2H-tetrazol-5-yl)-N-phenyl-urea
• 英文别名: 3-(2,6-Diisopropyl-phenyl)-1-(2-dodecyl-2H-tetrazol-5-yl)-1-phenyl-urea；3-[2,6-di(propan-2-yl)phenyl]-1-(2-dodecyltetrazol-5-yl)-1-phenylurea
• 化学式: C₃₂H₄₈N₆O
• 分子量: 532.773
• InChiKey: BDTOUKJDASDLPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  75.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(5H-四唑-5-亚基)苯胺 在 正丁基锂 、 trialkylamine 、 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 49.0h， 生成 N'-[2,6-bis(1-methylethyl)phenyl]-N-(2-dodecyl-2H-tetrazol-5-yl)-N-phenyl-urea
  参考文献：
  名称：

  Tetrazole-substituted ureas as inhibitors of acyl-CoA:cholesterol O-acyltransferase (ACAT). A novel preparation of ureas from weakly nucleophilic amines

  摘要：

  A novel series of tetrazole-substituted ureas 2 were prepared from weakly nucleophilic amines using a new coupling method. The ureas were found to potently inhibit liver ACAT in vitro and lower total serum cholesterol in vivo. A comparison of urea 2b and the anti-atherosclerotic CI-976 in a long-term model of atherosclerosis indicates the importance of inhibiting arterial ACAT for reducing lesion size. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00310-1

文献信息

• Tetrazole-substituted urea acat inhibitors
  申请人：Warner-Lambert Company

  公开号：US05362744A1

  公开（公告）日：1994-11-08

  Novel ACAT inhibitors useful in the treatment of atherosclerosis which are tetrazole-substituted ureas,

  新型ACAT抑制剂是一种替代尿素的四唑衍生物，对于动脉粥样硬化的治疗有用。
• US5362744A
  申请人：——

  公开号：US5362744A

  公开（公告）日：1994-11-08
• [EN] TETRAZOLE-SUBSTITUTED UREA ACAT INHIBITORS<br/>[FR] INHIBITEURS DE L'ACAT CONSTITUES D'UREE TETRAZOLE SUBSTITUEE
  申请人：PARKE, DAVIS & COMPANY

  公开号：WO1995014679A1

  公开（公告）日：1995-06-01

  (EN) ACAT inhibitors useful in the treatment of atherosclerosis which are tetrazole-substituted ureas, of formula (I) wherein R1 is phenyl which is unsubstituted or is substituted with from 1 to 3 substituents; R2 is (a) aryl which is unsubstituted or substituted with 1 to 3 substituents, (b) a straight or branched hydrocarbon group, (c) a straight of branched alkoxy group, (d) a cycloalkyl group, (e) aralkyl; R3 is attached to either the 1- or 2-position of the tetrazole ring and is selected from a straight or branched hydrocarbon chain having from 1 to 20 carbon atoms and which is saturated or unsaturated containing 1 double bond or 2 or 3 nonadjacent double bonds wherein said chain is unsubstituted or is substituted with from 1 to 6 substituents; and n= 0, 1 or 2.(FR) Les inhibiteurs de l'ACAT utiles dans le traitement de l'athérosclérose sont des urées tétrazole substituées de la formule (I) dans laquelle R1 est phényle qui est non substitué ou substitué par 1 à 3 substituants; R2 est (a) aryle qui est non substitué ou substitué par 1 à 3 substituants, (b) un groupe hydrocarbure droit ou ramifié, (c) un groupe alcoxy droit ou ramifié, (d) un groupe cycloalkyle, (e) aralkyle; R3 est fixé soit en position 1 soit en position 2 du noyau tétrazole et est choisi parmi une chaîne hydrocarbure droite ou ramifiée possédant de 1 à 20 atomes de carbone, chaîne qui est saturée ou insaturée et contient une liaison double ou 2 ou 3 liaisons doubles non adjacentes dans lesquelles ladite chaîne est non substituée ou substituée par 1 à 6 substituants; et n vaut 0, 1 ou 2.
• Tetrazole-substituted ureas as inhibitors of acyl-CoA:cholesterol O-acyltransferase (ACAT). A novel preparation of ureas from weakly nucleophilic amines
  作者：Claude F Purchase、Andrew D White、Maureen K Anderson、Thomas M.A Bocan、Richard F Bousley、Katherine L Hamelehle、Reynold Homan、Brian R Krause、Peter Lee、Sandra Bak Mueller、Cecilia Speyer、Richard L Stanfield、James F Reindel

  DOI：10.1016/0960-894x(96)00310-1

  日期：1996.8

  A novel series of tetrazole-substituted ureas 2 were prepared from weakly nucleophilic amines using a new coupling method. The ureas were found to potently inhibit liver ACAT in vitro and lower total serum cholesterol in vivo. A comparison of urea 2b and the anti-atherosclerotic CI-976 in a long-term model of atherosclerosis indicates the importance of inhibiting arterial ACAT for reducing lesion size. Copyright (C) 1996 Elsevier Science Ltd