N-(2-氨基苯基)-异烟酰胺 | 105101-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(2-氨基苯基)-异烟酰胺
• 英文名称: BG24
• 英文别名: N-(2-aminophenyl)pyridine-4-carboxamide；N-(2-aminophenyl)-4-pyridinecarboxamide
• CAS: 105101-25-5
• 化学式: C₁₂H₁₁N₃O
• mdl: MFCD02585709
• 分子量: 213.239
• InChiKey: QBPHVELTLHFPNF-UHFFFAOYSA-N

物化性质

• 沸点：
  312.9±22.0 °C(Predicted)
• 密度：
  1.301±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  N-(2-氨基苯基)-异烟酰胺 在 溶剂黄146 作用下， 以66%的产率得到2-(4-吡啶)苯并咪唑
  参考文献：
  名称：

  Development of 2-(4-pyridyl)-benzimidazoles as PKN2 chemical tools to probe cancer

  摘要：

  Kinases are signalling proteins which have proven to be successful targets for the treatment of a variety of diseases, predominantly in cancers. However, only a small proportion of kinases ( < 20%) have been investigated for their therapeutic viability, likely due to the lack of available chemical tools across the kinome. In this work we describe initial efforts in the development of a selective chemical tool for protein kinase N2 (PKN2), a relatively unexplored kinase of interest in several types of cancer. The most successful compound, 5, has a measured IC50 of 0.064 mu M against PKN2, with ca. 17-fold selectivity over close homologue, PKN1.

  DOI：

  10.1016/j.bmcl.2020.127040
• 作为产物：
  描述：

  异烟酸 、 N-Boc-1,2-亚苯基二胺 在 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 乙腈 、 二氯甲烷 为溶剂， 反应 1.75h， 生成 N-(2-氨基苯基)-异烟酰胺
  参考文献：
  名称：

  [EN] KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS
  [FR] INHIBITEURS DE KINASE POUR LE TRAITEMENT DE TROUBLES DU SYSTÈME NERVEUX CENTRAL ET PÉRIPHÉRIQUE

  摘要：

  本文提供的是一般式(I)的化合物，这些化合物作为激酶抑制剂，例如ROCK、S6K和/或PKC抑制剂，在神经突起生长和轴突生长中具有用处。

  公开号：

  WO2019089729A1

文献信息

• Pyridine derivatives
  申请人：John Wyeth & Brother Limited

  公开号：US04728658A1

  公开（公告）日：1988-03-01

  Pyridine derivatives having the formula I ##STR1## and their pharmaceutically acceptable salts (where n is 0 or 1; R.sub.1 is hydrogen or lower alkyl and R.sub.2 is an aromatic group) exhibit anti-secretory activity and may be used as anti-secretory agents and/or as anti-ulcer agents.

  具有I式的吡啶衍生物及其药学上可接受的盐（其中n为0或1；R.sub.1为氢或低烷基，R.sub.2为芳香族基）表现出抗分泌活性，可用作抗分泌剂和/或抗溃疡剂。
• COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER
  申请人：KDAc Therapeutics, Inc.

  公开号：US20190216754A1

  公开（公告）日：2019-07-18

  Aspects of the disclosure relate to compositions, kits, and methods for the treatment of cancer that utilize a selective histonc deacetylase 3 (HDAC3) inhibitor. In some aspects, the compositions, kits, and methods relate to use of a selective HDAC3 inhibitor in combination with an immunotherapy agent (e.g., an immune checkpoint inhibitor).

  披露的方面涉及使用选择性组蛋白去乙酰化酶3（HDAC3）抑制剂进行癌症治疗的组合物、试剂盒和方法。在某些方面，这些组合物、试剂盒和方法涉及使用选择性HDAC3抑制剂与免疫治疗药物（例如免疫检查点抑制剂）的结合。
• Chemotherapeutic agents
  申请人：Henderson Andrew Scott

  公开号：US20050038248A1

  公开（公告）日：2005-02-17

  The invention provides 1,2-substituted cyclic compounds useful for treatment of diseases or disorders arising from abnormal or inappropriate cell proliferation, such as tumour growth, tumour metastasis and associated angiogenesis, as well as pharmaceutical compositions comprising these compounds and their use in methods of treatment.

  该发明提供了1,2-取代环状化合物，可用于治疗由异常或不适当的细胞增殖引起的疾病或障碍，例如肿瘤生长、肿瘤转移和相关的血管生成，以及包含这些化合物的药物组合物和它们在治疗方法中的应用。
• INHIBITORS OF HISTONE DEACETYLASE
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US20160272579A1

  公开（公告）日：2016-09-22

  The present invention relates to compounds which inhibit histone deacetylase activity and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing these compounds. The present invention also relates to methods of treating and preventing hematological cell proliferative disorders, such as multiple myeloma, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及抑制组蛋白去乙酰化酶活性的化合物及其合成方法。本发明还涉及含有这些化合物的制药组合物。本发明还涉及通过向需要治疗和预防血液细胞增殖性疾病（如多发性骨髓瘤）的受试者给予这些化合物和制药组合物的方法。
• EP1421057A4
  申请人：——

  公开号：EP1421057A4

  公开（公告）日：2007-03-14