N-(2-氧代-2,3-二氢-1H-苯并咪唑-5-基)乙酰胺 | 91085-68-6

• 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: N-(2-氧代-2,3-二氢-1H-苯并咪唑-5-基)乙酰胺
• 英文名称: N-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)acetamide
• 英文别名: 5-Acetamino-2-oxo-benzimidazolin；5-acetylamino-1,3-dihydro-benzoimidazol-2-one；N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
• CAS: 91085-68-6
• 化学式: C₉H₉N₃O₂
• mdl: MFCD00465856
• 分子量: 191.189
• InChiKey: BTIJJZBDTRBBBF-UHFFFAOYSA-N

物化性质

• 沸点：
  303.0±21.0 °C(Predicted)
• 密度：
  1.363±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-氧代-2,3-二氢-1H-苯并咪唑-5-基)乙酰胺 在 N,N-二甲基苯胺 、 三氯氧磷 作用下， 生成 N-(2-chloro-3H-benzimidazol-5-yl)acetamide
  参考文献：
  名称：

  Design, syntheses, and structure–activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole derivatives

  摘要：

  Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists (2 and 3). By optimizing substituents on the benzimidazole core part of the lead compound 5a, we were able to develop a potent, orally available, and brain-penetrable Y5 selective antagonist (5k). Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.018
• 作为产物：
  描述：

  5-氨基苯并咪唑酮 、 乙酸酐 反应 4.0h， 以98%的产率得到N-(2-氧代-2,3-二氢-1H-苯并咪唑-5-基)乙酰胺
  参考文献：
  名称：

  Synthesis and characterization of 5-amino-1,3,6-trinitro-1H-benzo[d]imidazol-2(3H)-one as an energetic material

  摘要：

  揭示了两种合成路线用于制备5-氨基-1,3,6-三硝基-1H-苯并[d]咪唑-2(3H)-酮(2)作为一种高能材料。

  DOI：

  10.1039/c4ra04796f

文献信息

• [EN] MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS<br/>[FR] COMPOSÉS DE MORPHOLINONE EN TANT QU'INHIBITEURS DE FACTEUR IXA
  申请人：MOCHIDA PHARM CO LTD

  公开号：WO2010065717A1

  公开（公告）日：2010-06-10

  The present invention provides a compound of Formula (I) as described herein, or a pharmaceutically acceptable salt or a solvate thereof. The present invention also provides pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing a thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明提供了如下描述的化合物I的化合物，或其药用可接受的盐或溶剂。本发明还提供包含一个或多个所述化合物的药物组合物，以及使用所述化合物治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。
• Organogel Compositions Comprising Alkylated Benzimidazolones
  申请人：Makeiff Darren A.

  公开号：US20130123375A1

  公开（公告）日：2013-05-16

  Disclosed is a composition comprising an organogel which comprises: (a) an alkylated benzimidazolone compound; and (b) an organic liquid.

  揭示了一种包括有机凝胶的组合物，该有机凝胶包括：(a)烷基化苯并咪唑酮化合物；和(b)有机液体。
• MIXED CRYSTAL AND COLORED PIGMENT DISPERSION COMPOSITION
  申请人：Tanaka Shigeaki

  公开号：US20110023752A1

  公开（公告）日：2011-02-03

  The present invention provides a mixed crystal having absorption properties that are excellent for color reproducibility as a blue pigment, and including a compound represented by the following Formula (I) and a compound represented by the following Formula (II), and a colored pigment dispersion composition including the mixed crystal and a medium. In Formula (I), X represents —SO—Z, —SO 2 —Z, —SO 2 NR 1 R 2 , —SO 3 R 1 , —CONR 1 R 2 or —CO 2 R 1 ; Z, R 1 and R 2 each independently represent an alkyl group, an aryl group, a heterocyclic group or the like; Y represents a monovalent substituent; M 1 represents a hydrogen atom, a metal element or the like; and a and b are integers from 0 to 16 and satisfy the relationship of 0≦a+b≦16. In Formula (II), G 1 to G 4 and Q 1 to Q 4 each independently represent a carbon atom or a nitrogen atom, and A 1 to A 4 each independently represent a group of atoms necessary for forming an aromatic ring or heterocycle with the respective G 1 to G 4 and Q 1 to Q 4 . Here, at least one ring among the four rings to be formed is a heterocycle. Each aromatic ring or heterocycle may have a substituent; M 2 represents a hydrogen atom, a metal element or the like.

  本发明提供了一种混合晶体，其吸收性能在作为蓝色颜料的颜色再现性方面表现出色，并包括由以下式（I）表示的化合物和由以下式（II）表示的化合物以及包括所述混合晶体和介质的着色颜料分散组合物。在式（I）中，X表示—SO—Z，—SO2—Z，—SO2NR1R2，—SO3R1，—CONR1R2或—CO2R1；Z、R1和R2各自独立地表示烷基、芳基、杂环基或类似物；Y表示单价取代基；M1表示氢原子、金属元素或类似物；a和b是0到16的整数，并满足0≦a+b≦16的关系。在式（II）中，G1到G4和Q1到Q4各自独立地表示碳原子或氮原子，A1到A4各自独立地表示与各自的G1到G4和Q1到Q4形成芳香环或杂环所必需的原子团。在这里，要形成的四个环中至少有一个是杂环。每个芳香环或杂环可以具有取代基；M2表示氢原子、金属元素或类似物。
• Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors
  申请人：Desarbre Eric

  公开号：US20100056478A1

  公开（公告）日：2010-03-04

  A pharmaceutically composition, comprising a combination of an antibiotically active compound of the formula (I): with a β-lactamase inhibitor of one of the formulae (II) to (XIII) are active against Gram-negative bacteria, in particular such bacteria which have become resistant against antibiotics such as aztreonam, carumonam and tigemonam. Optionally the compositions may comprise another β-lactamase inhibitor of one of the formulae (II) to (XIII), particularly of formula (V) or formula (VI).

  一种药物组合物，包括公式（I）的抗生素活性化合物与公式（II）至（XIII）中的β-内酰胺酶抑制剂的组合，对革兰氏阴性菌具有活性，特别是对已经对阿奇霉素、卡鲁莫南和替吉奴等抗生素产生耐药性的细菌具有活性。该组合物还可以包含公式（II）至（XIII）中的另一种β-内酰胺酶抑制剂，特别是公式（V）或公式（VI）的β-内酰胺酶抑制剂。
• USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS
  申请人：Basilea Pharmaceutica AG

  公开号：US20150031662A1

  公开（公告）日：2015-01-29

  A pharmaceutical composition, comprising a combination of an antibiotically active compound of the formula (I): with a β-lactamase inhibitor of one of the formulae (II) to (XIII) are active against Gram-negative bacteria, in particular such bacteria which have become resistant against antibiotics such as aztreonam, carumonam and tigemonam. Optionally the compositions may comprise another β-lactamase inhibitor of one of the formulae (II) to (XIII), particularly of formula (V) or formula (VI).

  一种药物组合物，包括式(I)的抗生素活性化合物与式(II)至式(XIII)中的一种β-内酰胺酶抑制剂的组合，对革兰氏阴性菌有活性，特别是对已经对阿奇霉素、卡鲁莫纳和替莫纳等抗生素产生耐药性的细菌有活性。该组合物可以包括另一种式(II)至式(XIII)中的β-内酰胺酶抑制剂，特别是式(V)或式(VI)的β-内酰胺酶抑制剂。