3-(1H-苯并[d]咪唑-1-基)苯胺 | 220495-45-4

• 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: 3-(1H-苯并[d]咪唑-1-基)苯胺
• 中文别名: 3-(1H-苯并[D]咪唑基-1-基)苯胺
• 英文名称: 1-(3-aminophenyl)-1H-benzo[d]imidazole
• 英文别名: meta-aminophenyl benzimidazole；VNPP423；1-(3-Aminophenyl)benzimidazole；3-(1H-Benzo[d]imidazol-1-yl)aniline；3-(benzimidazol-1-yl)aniline
• CAS: 220495-45-4
• 化学式: C₁₃H₁₁N₃
• 分子量: 209.25
• InChiKey: WRFBYSCAYDYAEV-UHFFFAOYSA-N

物化性质

• 沸点：
  447.3±47.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  对甲氧基苯甲酰氯 、 3-(1H-苯并[d]咪唑-1-基)苯胺 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 5.0h， 以48.7%的产率得到N-(3-benzimidazolylphenyl)(4-methoxyphenyl)carboxamide
  参考文献：
  名称：

  [EN] NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY
  [FR] COMPOSÉS NON-STÉROÏDIENS ET STÉROÏDIENS PUISSANTS EN TERMES DE RÉGULATION À LA BAISSE DU RÉCEPTEUR DES ANDROGÈNES ET D'ACTIVITÉ CONTRE LE CANCER DE LA PROSTATE

  摘要：

  公开号：

  WO2014165815A3
• 作为产物：
  描述：

  1-(3-硝基苯基)-1H-苯并[d]咪唑 在 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 异丙醇 为溶剂， 生成 3-(1H-苯并[d]咪唑-1-基)苯胺
  参考文献：
  名称：

  Acylthiourea, Acylurea, and Acylguanidine Derivatives with Potent Hedgehog Inhibiting Activity

  摘要：

  The Smoothened (Smo) receptor is the major transducer of the Hedgehog (Hh) signaling pathway. On the basis of the structure of the acylthiourea Smo antagonist (MRT-10), a number of different series of analogous compounds were prepared by ligand-based structural optimization. The acylthioureas, originally identified as actives, were converted into the corresponding acylureas or acylguanidines. In each series, similar structural trends delivered potent compounds with IC50 values in the nanomolar range with respect to the inhibition of the Hh signaling pathway in various cell-based assays and of BODIPY-cyclopamine binding to human Smo. The similarity of their biological activities, in spite of discrete structural differences, may reveal the existence of hydrogen-bonding interactions between the ligands and the receptor pocket. Biological potency of compounds 61, 72, and 86 (MRT-83) were comparable to those of the clinical candidate GDC-0449. These findings suggest that these original molecules will help delineate Smo and Hh functions and can be developed as potential anticancer agents.

  DOI：

  10.1021/jm2013369

文献信息

• Inhibitors of syk and JAK protein kinases
  申请人：Jia Zhaozhong

  公开号：US20100048567A1

  公开（公告）日：2010-02-25

  The present invention is directed to compounds of formula I-V and tautomers thereof or pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of syk kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及公式I-V的化合物及其互变异构体或药学上可接受的盐、酯和前药，其是syk激酶的抑制剂。本发明还涉及用于制备这种化合物的中间体，制备这种化合物的方法，包含这种化合物的制药组合物，抑制syk激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由syk激酶活性介导的多种疾病的方法，例如不良血栓和非何杰金淋巴瘤。
• INHIBITORS OF SYK AND JAK PROTEIN KINASES
  申请人：Jia Zhaozhong

  公开号：US20120101275A1

  公开（公告）日：2012-04-26

  The present invention is directed to compounds of formula I-V and tautomers thereof or pharmaceutically acceptable salts, esters, and prodrugs thereof which are inhibitors of syk kinase. The present invention is also directed to intermediates used in making such compounds, the preparation of such a compound, pharmaceutical compositions containing such a compound, methods of inhibition syk kinase activity, methods of inhibition the platelet aggregation, and methods to prevent or treat a number of conditions mediated at least in part by syk kinase activity, such as undesired thrombosis and Non Hodgkin's Lymphoma.

  本发明涉及公式I-V和其互变异构体或药学上可接受的盐、酯和前药的化合物，其为syk激酶的抑制剂。本发明还涉及用于制备这种化合物的中间体，制备这种化合物的方法，含有这种化合物的制药组合物，抑制syk激酶活性的方法，抑制血小板聚集的方法，以及预防或治疗至少部分由syk激酶活性介导的多种情况的方法，如非霍奇金淋巴瘤和不良血栓形成。
• Benzimidazoles for inhibiting protein tyrosine kinase mediated cellular proliferation
  申请人：Warner-Lambert Company

  公开号：US06218388B1

  公开（公告）日：2001-04-17

  Benzimidazoles of Formula I below are inhibitors of protein tyrosine kinases, and are useful in treating cellular proliferation. The compounds are especially useful in treating cancer, atherosclerosis, restenosis, and psoriasis.

  以下式I的苯并咪唑化合物是蛋白质酪氨酸激酶的抑制剂，可用于治疗细胞增殖。这些化合物在治疗癌症、动脉粥样硬化、再狭窄和银屑病方面特别有用。
• Benzimidazoles for inhibiting protein tyrosine kinase mediated cellular
  申请人：Warner-Lambert Company

  公开号：US05990146A1

  公开（公告）日：1999-11-23

  Benzimidazoles of Formula I below are inhibitors of protein tyrosine kinases, and are useful in treating cellular proliferation. ##STR1## The compounds are especially useful in treating cancer, atherosclerosis, restenosis, and psoriasis.

  以下式子为I的苯并咪唑化合物是蛋白酪氨酸激酶的抑制剂，可用于治疗细胞增殖。##STR1## 这些化合物特别适用于治疗癌症、动脉粥样硬化、再狭窄和牛皮癣。
• Novel kinase inhibitors
  申请人：Thormann Michael

  公开号：US20120329785A1

  公开（公告）日：2012-12-27

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases.

  本发明涉及式（I）的新型化合物，这些化合物能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物可用于治疗各种疾病。