5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole | 444103-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole
• 英文别名: 5-bromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzoimidazole；2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
• CAS: 444103-78-0
• 化学式: C₁₃H₁₉BrN₂OSi
• 分子量: 327.296
• InChiKey: WDFWDWJBSNASHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.11
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 palladium [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO) 、 potassium acetate 、 palladium diacetate 、 sodium carbonate 、 caesium carbonate 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 、 二甲基亚砜 为溶剂， 反应 21.5h， 生成 N-(4-(1H-benzo[d]imidazol-5-yl)-5-chloropyrimidin-2-yl)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine
  参考文献：
  名称：

  [EN] PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME
  [FR] DÉRIVÉS DE PYRIMIDINE ET DE PYRIDINE EN TANT QUE MODULATEURS DE HPK1 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  提供的是化合物Formula（I）的杂环芳基化合物或其药用可接受的盐、酯或前药。

  公开号：

  WO2022063140A1
• 作为产物：
  描述：

  4-溴邻苯二胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  2-Arylindoles as gonadotropin releasing hormone (GnRH) antagonists: optimization of the tryptamine side chain

  摘要：

  A series of 2-arylindoles containing novel heteroaromatic substituents on the tryptamine tether, based on compound 1, was prepared and evaluated for their ability to act as gonadotropin releasing hormone (GnRH) antagonists. Successful modifications of 1 included chain length variation (reduction) and replacement of the pyridine with heteroaromatic groups. These alterations culminated in the discovery of compound 27kk which had excellent in vitro potency and oral efficacy in rodents. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00026-4

文献信息

• Condensed derivatives of imidazole useful as pharmaceuticals
  申请人：LABORATOIRE BIODIM

  公开号：EP2913330A1

  公开（公告）日：2015-09-02

  The invention relates to the compounds (I) and their acids and bases salts: wherein: the dotted line indicates a double bond; X is N or C-R1 and Y is N or C-R2, X and Y not being simultaneously N; A is selected from the group consisting of phenyl, naphthyl and (5-11) membered monocyclic or bicyclic unsaturated cycle or heterocycle possibly substituted as defined in the application, and A can also comprise either a further (4-7) membered heterocycle, said heterocycle being a monocycle, fused, saturated or unsaturated, the polycyclic system then comprising up to 14 members and up to 5 heteroatoms selected from N, O and S; B is Hydrogen or a substituent as defined in the application, or B is a (4-10) membered mono or bicyclic saturated or unsaturated heterocycle containing 1-3 heteroatoms selected from N, O and S, and possibly substituted as defined in the application; B not being Hydrogen when X is N and Y is C-R2; R1 is Hydrogen or a substituent as defined in the application; B and R1 cannot be simultaneously Hydrogen; R2 is Hydrogen or Halogen; their preparation, their use in the antibacterial prevention and therapy, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.

  该发明涉及化合物（I）及其酸盐和碱盐： 其中： 虚线表示双键； X为N或C-R1，Y为N或C-R2，X和Y不同时为N； A选自苯基、萘基和（5-11）成员单环或双环不饱和环或杂环，可能按申请中定义进行取代， A还可以包括另一个（4-7）成员杂环，该杂环为单环、融合、饱和或不饱和，多环系统则包括最多14个成员和最多5个N、O和S中选择的杂原子； B为氢或按申请中定义的取代基，或 B为含有1-3个N、O和S中选择的杂原子的（4-10）成员单环或双环饱和或不饱和杂环，并可能按申请中定义进行取代； 当X为N且Y为C-R2时，B不是氢； R1为氢或按申请中定义的取代基； B和R1不能同时为氢； R2为氢或卤素； 它们的制备，它们在抗菌预防和治疗中的用途，单独或与抗菌药物、抗毒力剂或增强宿主先天免疫力的药物联合使用，以及含有它们的药物组合物和联合物。
• [EN] PYRROLIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRROLIDINE
  申请人：HUA MEDICINE (SHANGHAI) LTD

  公开号：WO2017071536A1

  公开（公告）日：2017-05-04

  Provided herein are compounds of the formula (I), as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment or prevention of mGluR5 mediated disorders, such as acute and/or chronic neurological disorders, cognitive disorders and memory deficits, as well as acute and chronic pain.

  本文提供了式（I）的化合物，以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗或预防mGluR5介导的疾病，如急性和/或慢性神经系统疾病、认知障碍和记忆缺陷，以及急性和慢性疼痛，具有用处。
• Inhibitors of CYP 17
  申请人：BOCK Mark G.

  公开号：US20100331326A1

  公开（公告）日：2010-12-30

  The present invention provides compounds of Formula (I) and (II), or a pharmaceutically acceptable salts thereof, where R 53 , R 54 , p, q, and n are as defined herein. The compounds of the present invention have been found to be useful as 17α-hydroxylase/C 17,20 -lyase inhibitors.

  本发明提供了公式(I)和(II)的化合物，或其药学上可接受的盐，其中R53、R54、p、q和n如本文所定义。本发明的化合物已被发现可用作17α-羟化酶/C17,20-裂解酶抑制剂。
• INHIBITORS OF CYP 17
  申请人：BOCK Mark Gary

  公开号：US20140228394A1

  公开（公告）日：2014-08-14

  The present invention provides compounds of Formula (I) and (II), or a pharmaceutically acceptable salts thereof, where R 53 , R 54 , p, q, and n are as defined herein. The compounds of the present invention have been found to be useful as 17α-hydroxylase/C 17,20 -lyase inhibitors.

  本发明提供了式(I)和(II)的化合物，或其药学上可接受的盐，其中R53、R54、p、q和n的定义如本文所述。本发明的化合物已被发现可用作17α-羟化酶/C17,20-裂解酶抑制剂。
• MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY
  申请人：Dishington Allan Paul

  公开号：US20110034454A1

  公开（公告）日：2011-02-10

  A compound of formula (I) or a salt, ester or prodrug thereof, processes for their preparation, pharmaceutical compositions containing them and their use in therapy, for example in the treatment of proliferative disease such as cancer and particularly in disease mediated by an mTOR kinase and/or one or more PI3K enzyme.

  化合物的公式（I）或其盐、酯或前药，它们的制备过程，包含它们的药物组合物以及它们在治疗中的用途，例如在治疗增生性疾病如癌症中，特别是在由mTOR激酶和/或一个或多个PI3K酶介导的疾病中。