N-(1H-苯并[d]咪唑-4-基)甲酰胺 | 137654-47-8

• 物质功能分类: 有机原料 - 杂环化合物
• 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-(1H-苯并[d]咪唑-4-基)甲酰胺
• 中文别名: N-(1H-苯并[D]咪唑基-4-基)甲酰胺
• 英文名称: 4(7)-formylbenzimidazole
• 英文别名: N-(1H-Benzo[d]imidazol-4-yl)formamide；N-(1H-benzimidazol-4-yl)formamide
• CAS: 137654-47-8
• 化学式: C₈H₇N₃O
• 分子量: 161.163
• InChiKey: LGITZGIQYPDWBF-UHFFFAOYSA-N

物化性质

• 熔点：
  173-174 °C(Solv: water (7732-18-5))
• 沸点：
  561.0±23.0 °C(Predicted)
• 密度：
  1.440±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 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：

  N-(1H-苯并[d]咪唑-4-基)甲酰胺 在 盐酸 、 sodium hydroxide 作用下， 反应 2.5h， 生成 6-propyl-7H-imidazo<1,5,4-ef><1,5>benzodiazepin-4-one
  参考文献：
  名称：

  Reactivity of 4(7)-aminobenzimidazole as a bidentate nucleophile.

  摘要：

  Reactivity of 4(7)-aminobenzimidazole as a bidentate nucleophile has been investigated. 7-H-Imidazo [1,5,4-ef][1 ,5] benzodiazepin-4-ones or imidazo [4 ,5-h] quinoline derivatives are obtained with beta-oxoesters or beta-diketones respectively.

  DOI：

  10.1016/s0040-4020(01)89747-7
• 作为产物：
  描述：

  苯-1,2,3-三胺 、 甲酸 反应 1.0h， 以70%的产率得到N-(1H-苯并[d]咪唑-4-基)甲酰胺
  参考文献：
  名称：

  Reactivity of 4(7)-aminobenzimidazole as a bidentate nucleophile.

  摘要：

  Reactivity of 4(7)-aminobenzimidazole as a bidentate nucleophile has been investigated. 7-H-Imidazo [1,5,4-ef][1 ,5] benzodiazepin-4-ones or imidazo [4 ,5-h] quinoline derivatives are obtained with beta-oxoesters or beta-diketones respectively.

  DOI：

  10.1016/s0040-4020(01)89747-7

文献信息

• Hydrogenation on palladium-containing granulated catalysts 3. Synthesis of aminobenzimidazoles by catalytic hydrogenation of dinitroanilines
  作者：V. V. Elkin、L. N. Tolkacheva、N. B. Chernysheva、I. B. Karmanova、L. D. Konyushkin、V. V. Semenov

  DOI：10.1007/s11172-007-0184-z

  日期：2007.6

  Efficient hydrogenation of o-aminonitrobenzenes on palladium-containing granulated carbon catalysts in carboxylic acid solutions was accompanied by cyclization into aminobenzimidazoles. A simple hydrogenation reactor with a fixed gauze holding a reusable granulated catalyst was designed. Acylated and sulfonylated 4(7)-aminobenzimidazoles were obtained. In terms of electronic and geometrical parameters, they are close analogs of biologically active imidazo[1,5,4-e,f ][1,5]benzodiazepines.

  在羧酸溶液中，含钯颗粒碳催化剂上邻氨基硝基苯的高效氢化伴随着环化反应生成氨基苯并咪唑。设计了一种带有固定纱网以容纳可重复使用颗粒催化剂的简单氢化反应器。得到了酰化和磺酰化的4(7)-氨基苯并咪唑。就电子和几何参数而言，它们与生物活性咪唑并[1,5,4-e,f][1,5]苯并二氮杂卓类化合物非常相似。
• [EN] FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX<br/>[FR] PYRIMIDINES FUSIONNÉES EN TANT QU'INHIBITEURS DU COMPLEXE P97
  申请人：ZHOU HAN-JIE

  公开号：WO2014015291A1

  公开（公告）日：2014-01-23

  Fused pyrimidine compounds having a saturated, unsaturated or aromatic A ring fused to a pyrimidine ring and having a complex substituents at the 2 position and a substituted amine at the 4 position of the pyrimidine ring as well as optional aliphatic, functional and/or aromatic components substituted at other positions of the pyrimidine ring and A ring are disclosed. These compounds are inhibitors of the AAA proteasome complex containing p97 and are effective medicinal agents for treatment of diseases associated with p97 bioactivity such as cancer.

  本发明揭示了一种融合嘧啶化合物，其具有饱和、不饱和或芳香性A环与嘧啶环融合，并在嘧啶环的2位具有复杂的取代基，在4位具有取代胺基，以及在其他位置可选地具有取代的脂肪族、功能性和/或芳香性组分的嘧啶环和A环。这些化合物是包含p97的AAA蛋白酶复合物的抑制剂，是治疗与p97生物活性相关的疾病如癌症的有效药物。
• FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX
  申请人：Cleave Biosciences, Inc.

  公开号：EP3208270A1

  公开（公告）日：2017-08-23

  Fused pyrimidine compounds having a saturated, unsaturated or aromatic A ring fused to a pyrimidine ring and having a complex substituents at the 2 position and a substituted amine at the 4 position of the pyrimidine ring as well as optional aliphatic, functional and/or aromatic components substituted at other positions of the pyrimidine ring and A ring are disclosed. These compounds are inhibitors of the AAA proteasome complex containing p97 and are effective medicinal agents for treatment of diseases associated with p97 bioactivity such as cancer.

  本发明公开了具有与嘧啶环融合的饱和、不饱和或芳香 A 环的融合嘧啶化合物，该化合物在嘧啶环的 2 位具有复合取代基，在 4 位具有取代胺，并在嘧啶环和 A 环的其他位置具有任选取代的脂肪族、官能团和/或芳香族成分。这些化合物是含有 p97 的 AAA 蛋白酶体复合物的抑制剂，是治疗与 p97 生物活性有关的疾病（如癌症）的有效药物。
• Use of a combination of Dbait molecule and PARP inhibitors to treat cancer
  申请人：INSTITUT CURIE

  公开号：US10563197B2

  公开（公告）日：2020-02-18

  The present invention relates to the combination of a PARP inhibitor with a Dbait molecule for treating cancer.

  本发明涉及 PARP 抑制剂与 Dbait 分子的组合，用于治疗癌症。
• FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX
  申请人：Cleave Biosciences, Inc.

  公开号：EP2875018B1

  公开（公告）日：2018-02-14