1-((2-(三甲基甲硅烷基)乙氧基)甲基)-1H-苯并[D]咪唑 | 101226-37-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-((2-(三甲基甲硅烷基)乙氧基)甲基)-1H-苯并[D]咪唑
• 英文名称: 1-((2-(trimethylsilyl)ethoxy)methyl)-1H-benzo[d]imidazole
• 英文别名: 1-(2-Trimethylsilylethoxymethyl)-1H-benzoimidazole；2-(benzimidazol-1-ylmethoxy)ethyl-trimethylsilane
• CAS: 101226-37-3
• 化学式: C₁₃H₂₀N₂OSi
• 分子量: 248.4
• InChiKey: QIEIFQABLPHUPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  17
• 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：

  1-((2-(三甲基甲硅烷基)乙氧基)甲基)-1H-苯并[D]咪唑 在 正丁基锂 、 氢碘酸 、 碳酸氢钠 作用下， 以 水 、 叔丁醇 为溶剂， 生成 [1H-benzimidazol-2-yl][1-(t-butyloxycarbonyl)-4-piperidinyl]methanone
  参考文献：
  名称：

  Synthesis and sar of 4-(1H-benzimidazole-2-carbonyl)piperidines with dual histamine H1/tachykinin NK1 receptor antagonist activity

  摘要：

  A series of 4-(1H-benzimidazole-2-carbonyl)piperidines with dual histamine H-1/tachykinin NK1 receptor antagonist activity has been prepared, Factors affecting receptor binding affinities and oral activity in this series are described. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10097-x
• 作为产物：
  描述：

  在 Rose Bengal sodium salt 、 水 、 氧气 、 sodium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以88%的产率得到1-((2-(三甲基甲硅烷基)乙氧基)甲基)-1H-苯并[D]咪唑
  参考文献：
  名称：

  可见光诱导的亚硫酰基对2-巯基苯并咪唑的好氧氧化脱硫

  摘要：

  发现温和的不含过渡金属的无毒需氧光氧化还原系统可实现2-巯基苯并咪唑的高效脱硫。这种可行的催化系统包括低催化剂含量的Rose Bengal作为光敏剂，以及廉价的无毒NaCl（催化量）作为添加剂，并与氧气气氛相结合。该方案提供了重要的替代途径，可以以通常的高收率获得各种苯并咪唑和氘代苯并咪唑产品，并且对各种合成和药学上有用的功能具有良好的耐受性。机理研究表明，单电子转移和能量转移都可能在初始步骤发生，并且亚硫酰基自由基中间体参与了关键的脱硫过程。

  DOI：

  10.1039/d0gc02269a

文献信息

• [EN] SHIP1 MODULATORS AND METHODS RELATED THERETO<br/>[FR] MODULATEURS DE SHIP1 ET MÉTHODES ASSOCIÉES
  申请人：AQUINOX PHARMACEUTICALS INC

  公开号：WO2014143561A1

  公开（公告）日：2014-09-18

  Compounds of formula (I): where R1, R2, R3, R4a, R4b, R5, R6 and R7 are defined herein, or stereoisomers or pharmaceutically acceptable salts thereof, are described herein. Such compounds have activity as SHIP1 modulators, and thus may be used to treat any of a variety of diseases, disorders or conditions that would benefit from SHIP1 modulation. Compositions comprising a compound of formula (I) in combination with a pharmaceutically acceptable carrier or diluent are also disclosed, as are methods of SHIP1 modulation by administration of such compounds to an animal in need thereof.

  式（I）的化合物：其中R1、R2、R3、R4a、R4b、R5、R6和R7如本文所定义，或其立体异构体或药学上可接受的盐，在本文中有描述。这些化合物具有SHIP1调节剂的活性，因此可用于治疗任何需要SHIP1调节的各种疾病、疾病或病况。还公开了包含式（I）化合物与药学上可接受的载体或稀释剂组合的组合物，以及通过向需要的动物施用这些化合物来进行SHIP1调节的方法。
• Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use
  申请人：Agouron Pharamaceuticals, Inc.

  公开号：US06531491B1

  公开（公告）日：2003-03-11

  Indazole compounds that modulate and/or inhibit the activity of certain protein kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating tyrosine kinase signal transduction and thereby modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.

  描述了调节和/或抑制某些蛋白激酶活性的吲唑化合物。这些化合物及含有它们的药物组合物能够介导酪氨酸激酶信号转导，从而调节和/或抑制不需要的细胞增殖。该发明还涉及含有这些化合物的药物组合物的治疗或预防用途，以及通过给予这些化合物的有效剂量来治疗癌症和其他与不需要的血管生成和/或细胞增殖相关的疾病状态，如糖尿病视网膜病变、新生血管性青光眼、类风湿性关节炎和牛皮癣的方法。
• HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20190315766A1

  公开（公告）日：2019-10-17

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit Respiratory Syncytial Virus (RSV). The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from RSV infection. The invention also relates to methods of treating an RSV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式（I）的化合物，以及其药学上可接受的盐、酯或前药： 这些化合物抑制呼吸道合胞病毒（RSV）。本发明还涉及包含上述化合物的药物组合物，用于治疗患有RSV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的RSV感染的方法。
• [EN] FUSED HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2012018909A1

  公开（公告）日：2012-02-09

  The present invention provides a compound which has the effect of PDE 10A inhibition, and which is useful as a medicament for preventing or treating schizophrenia or so on. A compound represented by the formula (1'): wherein, Ring A' represents an optionally substituted pyridine ring, an optionally substituted pyridazine ring, a pyrimidine ring, or 10 a pyrazine ring, R1' represents (1) wherein, R1a' represents an optionally substituted phenyl group, or an optionally substituted 5- to 10-membered heterocyclic group, Ring B2 represents a bond, -S-, -0-, -CO-, an optionally substituted methylene group, or -NRa'- (Ra' represents a hydrogen atom, or an optionally substituted C1-6 alkyl group), and Ring B1' represents an optionally further substituted 6- to 10- membered aromatic hydrocarbon ring, or an optionally further substituted 5- to 10-membered aromatic heterocyclic ring, or alternatively, L' and R1a' may be taken together to form an optionally substituted bicyclic or tricyclic fused heterocyclic group, or (2), wherein, R1b' represents an optionally substituted phenyl group, or an optionally substituted 5- to 10-membered heterocyclic group, Ring B2' represents an optionally substituted benzene ring, an optionally substituted pyridine ring, an optionally substituted pyrimidine ring, an optionally substituted pyrazine ring, or an optionally substituted pyridazine ring, Ring D' represents an optionally further substituted 5- or 6- membered ring, R2' represents a hydrogen atom, or a substituent, X' represents =N- or =CRb'- (Rb' represents a hydrogen atom, or a substituent), _ _ _ _ _ represents that Rb' and R2' may form, taken together with the carbon atom and the nitrogen atom to which they are each adjacent, an optionally substituted 5- to 7-membered ring when.X' is =CRb'-, or a salt thereof.

  本发明提供了一种具有PDE 10A抑制作用的化合物，可用作预防或治疗精神分裂症等疾病的药物。化合物的结构如下（1'）：其中，环A'代表可选择取代的吡啶环、可选择取代的吡啉环、嘧啶环或吡嗪环，R1'代表（1）其中，R1a'代表可选择取代的苯基或可选择取代的5-至10-成员杂环基，环B2代表键、-S-、-O-、-CO-、可选择取代的亚甲基基团或-NRa'-（Ra'代表氢原子或可选择取代的C1-6烷基基团），环B1'代表可选择进一步取代的6-至10-成员芳香碳氢环、或可选择进一步取代的5-至10-成员芳香杂环环，或者，L'和R1a'可以结合形成可选择取代的双环或三环融合杂环基，或（2）其中，R1b'代表可选择取代的苯基或可选择取代的5-至10-成员杂环基，环B2'代表可选择取代的苯环、可选择取代的吡啶环、可选择取代的嘧啶环、可选择取代的吡嗪环或可选择取代的吡啉环，环D'代表可选择进一步取代的5-或6-成员环，R2'代表氢原子或取代基，X'代表=N-或=CRb'-（Rb'代表氢原子或取代基），_ _ _ _ _代表Rb'和R2'可能形成，与它们各自相邻的碳原子和氮原子一起，当X'为=CRb'-时，形成可选择取代的5-至7-成员环，或其盐。
• INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE
  申请人：——

  公开号：US20040220248A1

  公开（公告）日：2004-11-04

  Indazole compounds that modulate and/or inhibit the activity of certain protein kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating tyrosine kinase signal transduction and thereby modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.

  本文介绍了调节和/或抑制某些蛋白激酶活性的吲唑类化合物。这些化合物及含有它们的药物组合物能够介导酪氨酸激酶信号转导，从而调节和/或抑制不必要的细胞增殖。本发明还涉及含有这些化合物的药物组合物的治疗或预防用途，以及通过给予有效量的这些化合物来治疗癌症和其他与不必要的血管生成和/或细胞增殖相关的疾病状态，如糖尿病视网膜病变、新生血管性青光眼、类风湿性关节炎和牛皮癣的方法。