(1-{[2′-(1-benzyl-1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl]methyl}-2-butyl-4-chloro-1H-imidazol-5-yl)methanol

• 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: (1-{[2′-(1-benzyl-1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl]methyl}-2-butyl-4-chloro-1H-imidazol-5-yl)methanol
• 英文别名: 2-butyl-4-chloro-1-{[2'-(1-benzyl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl}imidazole-5-methanol；N-benzyl losartan；1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-[1-(phenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-；[3-[[4-[2-(1-benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol
• 化学式: C₂₉H₂₉ClN₆O
• 分子量: 513.042
• InChiKey: FBKRDLUQJYLCJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-{[2′-(1-benzyl-1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl]methyl}-2-butyl-4-chloro-1H-imidazol-5-yl)methanol 在 5% palladium on barium sulphate 、 甲酸铵 作用下， 以 水 、 异丙醇 为溶剂， 反应 8.0h， 以70.7%的产率得到洛沙坦
  参考文献：
  名称：

  DEPROTECTION METHOD FOR TETRAZOLE COMPOUND

  摘要：

  本发明涉及一种去保护四唑化合物的方法，该方法作为血管紧张素II受体拮抗剂的中间体，并提供了一种新颖的血管紧张素II受体拮抗剂的生产方法。 提供了一种由式[3]或[4]表示的化合物或其盐的生产方法，包括(i)在金属催化剂和碱土金属盐的存在下还原式[1]或[2]表示的化合物或其盐，或(ii)将该化合物与特定量的Brønsted酸反应： 其中每个符号如本说明书中所定义。

  公开号：

  US20150239854A1
• 作为产物：
  描述：

  咪唑醛 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 、 甲苯 、 乙腈 为溶剂， 反应 20.5h， 生成 (1-{[2′-(1-benzyl-1H-tetrazol-5-yl)-1,1′-biphenyl-4-yl]methyl}-2-butyl-4-chloro-1H-imidazol-5-yl)methanol
  参考文献：
  名称：

  Novel and Efficient Debenzylation of N-Benzyltetrazole Derivatives with the Rosenmund Catalyst

  摘要：

  The Rosenmund catalyst (Pd/BaSO4) was found to efficiently catalyze debenzylation of N-benzyltetrazole derivatives with ammonium formate by catalytic transfer hydrogenation under mild conditions. The protocol has been applied to functionalized substrates to provide various angiotensin II receptor blockers in excellent yields.

  DOI：

  10.1055/s-0034-1378585

文献信息

• DEPROTECTION METHOD FOR TETRAZOLE COMPOUND
  申请人：API CORPORATION

  公开号：US20150239854A1

  公开（公告）日：2015-08-27

  The present invention relates to a method of deprotecting a tetrazole compound, useful as an intermediate for angiotensin II receptor blockers, and provides a novel production method of angiotensin II receptor blockers. Provided is a production method of a compound represented by the formula [3] or [4] or a salt thereof, including (i) reducing a compound represented by the formula [1] or [2] or a salt thereof in the presence of a metal catalyst and an alkaline earth metal salt, or (ii) reacting the compound with a particular amount of Brønsted acid: wherein each symbol is as defined in the present specification.

  本发明涉及一种去保护四唑化合物的方法，该方法作为血管紧张素II受体拮抗剂的中间体，并提供了一种新颖的血管紧张素II受体拮抗剂的生产方法。 提供了一种由式[3]或[4]表示的化合物或其盐的生产方法，包括(i)在金属催化剂和碱土金属盐的存在下还原式[1]或[2]表示的化合物或其盐，或(ii)将该化合物与特定量的Brønsted酸反应： 其中每个符号如本说明书中所定义。
• Contrast agents
  申请人：NYCOMED IMAGING AS

  公开号：US20010016587A1

  公开（公告）日：2001-08-23

  The invention provides a composition of matter of the formula (I): V—L—R where V is an organic group having binding affinity for an angiotensin II receptor site, L is a linker moiety or a bond, and R is a moiety detectable in in vivo imaging of a human or animal body, with the provisos that where V is angiotensin or a peptidic angiotensin derivative or analog then V—L—R is other than a non-metal radionuclide substituted peptide (e.g. 125 I substituted angiotensin II) and L—V is other than simply a peptide with a chelating agent amide bonded to a side chain thereof. This composition of matter may be used to image cardiovascular diseases and disorders.

  本发明提供一种物质组成式(I)的组合物：V—L—R，其中V是具有与血管紧张素II受体位点结合亲和力的有机基团，L是连接基团或键，R是在人体或动物体内成像中可检测到的基团，但须注意，当V是血管紧张素或血管紧张素衍生物或类似物时，V—L—R不是非金属放射性核素替代肽（例如125I替代血管紧张素II），而L—V不是仅具有与其侧链缀合剂酰胺键合的肽。该物质组合物可用于成像心血管疾病和障碍。
• CONTRAST AGENTS
  申请人：Amersham Health AS

  公开号：EP0971747B1

  公开（公告）日：2005-12-28
• TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF
  申请人：TARVEDA THERAPEUTICS, INC.

  公开号：US20170151339A1

  公开（公告）日：2017-06-01

  Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, comprising conjugates of an active agent such as a therapeutic, prophylactic, or diagnostic agent attached to a targeting moiety via a linker have been designed which can provide improved temporospatial delivery of the active agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.
• RNAi CONJUGATES, PARTICLES AND FORMULATIONS THEREOF
  申请人：TARVEDA THERAPEUTICS, INC.

  公开号：US20180273948A1

  公开（公告）日：2018-09-27

  Particles, including nanoparticles and microparticles, and pharmaceutical formulations thereof, comprising conjugates of an RNAi agent attached to a targeting moiety via a linker have been designed which can provide improved temporospatial delivery of the RNAi agent and/or improved biodistribution. Methods of making the conjugates, the particles, and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer or infectious diseases.