2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(3-nitrooxypropyl)carbonyloxy]methyl-1H-imidazole | 838876-22-5

• 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: 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(3-nitrooxypropyl)carbonyloxy]methyl-1H-imidazole
• 英文别名: 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(3-(nitrooxy) propyl)carbonyloxy]methyl-1H-imidazole；[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 4-nitrooxybutanoate
• CAS: 838876-22-5
• 化学式: C₂₆H₂₈ClN₇O₅
• 分子量: 554.005
• InChiKey: ZEFHZKHMFWTXMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  39
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  154
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  pentafluorophenol 4-nitroxybutyrate 、 2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(3-nitrooxypropyl)carbonyloxy]methyl-1H-imidazole 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以10%的产率得到[2-Butyl-5-chloro-3-[[4-[2-[2-(4-nitrooxybutanoyl)tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]methyl 4-nitrooxybutanoate
  参考文献：
  名称：

  WO2006/79610

  摘要：

  公开号：
• 作为产物：
  描述：

  pentafluorophenol 4-nitroxybutyrate 、 洛沙坦 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以66%的产率得到2-butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5-[(3-nitrooxypropyl)carbonyloxy]methyl-1H-imidazole
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING NITROOXY ESTERS, NITROOXY THIOESTERS, NITROOXY CARBONATES AND NITROOXY THIOCARBONATES, INTERMEDIATES USEFUL IN SAID PROCESS AND PREPARATION THEREOF
  [FR] PROCEDE DESTINE A LA PREPARATION D'ESTERS NITRO-OXY, DE THIOESTERS NITRO-OXY, DE CARBONATES NITRO-OXY ET DE THIOCARBONATES NITRO-OXY, PRODUITS INTERMEDIAIRES UTILES DANS CE PROCEDE ET LEUR PREPARATION

  摘要：

  本发明涉及一种制备具有至少一个羟基或硫醇官能团的化合物的硝基酯、硝基硫酯、硝基碳酸酯和硝基硫代碳酸酯的过程，根据以下反应方案(I)、(II)、(III)。该发明还涉及在该过程中有用的中间体及其制备方法。

  公开号：

  WO2006008196A1

文献信息

• Process for Preparing Nitrooxy Esters, Nitrooxy Thioesters Nitrooxy Carbonates and Nitrooxy Thiocarbinates, Intermediates Useful in Said Process and Preparation Thereof
  申请人：Almirante Nicoletta

  公开号：US20070238882A1

  公开（公告）日：2007-10-11

  The present invention relates to a process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates of compounds having at least an hydroxyl or thiol functional group, according to the following reaction scheme The invention also relates to intermediates useful in said process and to their preparation.

  本发明涉及一种制备至少具有羟基或硫醇官能团的化合物的硝氧酯、硝氧硫酯、硝氧碳酸酯和硝氧硫代碳酸酯的过程，如下反应方案所示。本发明还涉及该过程中有用的中间体及其制备方法。
• Nitoroxy derivatives of losartan, valsatan, candesartan, telmisartan, eprosartan and olmesartan as angiotensin-II receptor blockers for the treatment of cardiovascular diseases
  申请人：Almirante Nicoletta

  公开号：US20060276523A1

  公开（公告）日：2006-12-07

  Angiotensin II receptor blocker nitroderivatives of formula (I): R—(Y—ONO 2 ) s (I) having wider pharmacological activity and enhanced tolerability. They can be employed for treating cardiovascular, renal and chronic liver diseases and inflammatory processes.

  公式（I）的血管紧张素II受体阻滞剂硝基衍生物：R—（Y—ONO2）s（I），具有更广泛的药理活性和增强的耐受性。它们可用于治疗心血管、肾脏和慢性肝脏疾病以及炎症过程。
• ANGIOTENSIN II RECEPTOR ANTAGONISTS
  申请人：Sebhat lyassu K.

  公开号：US20100152258A1

  公开（公告）日：2010-06-17

  A compound having the structure (Formula I), wherein Y is —Y 1 , —Y 2 , —Y 3 , —Y 4 , —Y 5 ; Y 1 is C(O) or C(R 1 R 2 ); Y 2 is O, C(O), P(O)(OH) or CH 2 , provided that when Y 1 is C(O), Y 2 is not C(O); R 1 is selected from the group consisting of hydrogen and C 1-4 alkyl; R 2 is selected from the pup consisting of hydrogen, C 1-4 alkyl, and —OC(O)C 1-4 alkyl; Y 3 is O, C(O) or CH 2 , provided that when Y 2 is C(O), then Y 3 is not C(O), and further provided that when Y 2 is O, then Y 3 is not O; Y 4 is O or CH 2 or is absent, provided that when Y 3 is O, then Y 4 is not O; Y5 is —(CH 2 ) 1-2 —(X) 0-1 —(CH 2 ) 0-1 — or is absent; X is —O— or —CR 3 R 4 —; and R 3 and R 4 are independently selected from the group consisting of hydrogen and C 1 -C 4 alkyl; or a pharmaceutically acceptable salt thereof, which is useful for treating hypertension.

  一种具有结构（式I）的化合物，其中Y为-Y1，-Y2，-Y3，-Y4，-Y5; Y1为C（O）或C（R1R2）; Y2为O，C（O），P（O）（OH）或CH2，前提是当Y1为C（O）时，Y2不是C（O）; R1选自氢和C1-4烷基组成的群; R2选自氢，C1-4烷基和-OC（O）C1-4烷基组成的群; Y3为O，C（O）或CH2，前提是当Y2为C（O）时，Y3不是C（O），并且当Y2为O时，Y3不是O; Y4为O或CH2或不存在，前提是当Y3为O时，Y4不是O; Y5为-(CH2)1-2-(X)0-1-(CH2)0-1-或不存在; X为-O-或-CR3R4-; R3和R4独立地选自氢和C1-C4烷基组成的群; 或其药学上可接受的盐，用于治疗高血压。
• Process for preparing nitrooxy esters, nitrooxy thioesters nitrooxy carbonates and nitrooxy thiocarbinates, intermediates useful in said process and preparation thereof
  申请人：Nicox S.A.

  公开号：US07723529B2

  公开（公告）日：2010-05-25

  The present invention relates to a process for preparing nitrooxy esters, nitrooxy thioesters, nitrooxy carbonates and nitrooxy thiocarbonates of compounds having at least an hydroxyl or thiol functional group, according to the following reaction scheme The invention also relates to intermediates useful in said process and to their preparation.

  本发明涉及一种制备至少具有羟基或硫醇官能团的化合物的硝基氧酯、硝基氧代硫酯、硝基氧代碳酸酯和硝基氧代硫代碳酸酯的过程，如下所示的反应方案。本发明还涉及该过程中有用的中间体及其制备方法。
• NITROOXY DERIVATIVES OF LOSARTAN, VALSATAN, CANDESARTAN, TELMISARTAN, EPROSARTAN AND OLMESARTAN AS ANGIOTENSIN-II RECEPTOR BLOCKERS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES
  申请人：NICOX S.A.

  公开号：EP1653950A2

  公开（公告）日：2006-05-10