4-(amidinoamino)benzamide | 75087-97-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(amidinoamino)benzamide
• 英文别名: 4-(diaminomethylideneamino)benzamide
• CAS: 75087-97-7
• 化学式: C₈H₁₀N₄O
• 分子量: 178.194
• InChiKey: KILXQBIEMYMRQA-UHFFFAOYSA-N

物化性质

• 沸点：
  370.3±44.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-amino-1-β-D-ribofuranosylimidazole-4-carbonitrile 、 4-(amidinoamino)benzamide 生成 4-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]amino]benzamide
  参考文献：
  名称：

  SAWA, YOICHI;KAWAKAMI, YOSHIYUKI;MARUMOTO, RYUJI

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N′-二-Boc-硫脲 、 FMOC-4-氨基苯甲酸 生成 4-(amidinoamino)benzamide
  参考文献：
  名称：

  Solid phase synthesis of guanidines

  摘要：

  A comparison of guanylating agents 1 and 2 was performed on a series of primary, secondary and aromatic amines in solution and on solid phase resins. Thiourea 1 performed well in solution and on solid supported primary and secondary amines. Pyrazole 2 performed well in each case, except one aniline which failed to react. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00225-1

文献信息

• Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto
  申请人：——

  公开号：US20030220330A1

  公开（公告）日：2003-11-27

  Compounds having activity as inhibitors of the JNK pathway are disclosed. The compounds of this invention are anilinopyrimidine derivatives having the following structure: 1 wherein R 1 through R 6 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to inhibition of the JNK pathway. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了作为JNK通路抑制剂活性的化合物。本发明的化合物是具有以下结构的苯胺吡嘧啶衍生物：其中R1至R6如本文所定义。这些化合物在治疗对JNK通路抑制敏感的广泛疾病方面具有用途。因此，本文还揭示了治疗这些疾病的方法，以及含有上述化合物中的一个或多个化合物的药物组合物。
• Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto
  申请人：——

  公开号：US20030203926A1

  公开（公告）日：2003-10-30

  Compounds having activity as inhibitors of IKK are disclosed, particularly IKK-2. The compounds of this invention are anilinopyrimidine derivatives having the following structure: 1 wherein R 1 and R 6 are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to IKK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了作为IKK抑制剂的化合物，特别是IKK-2。本发明的化合物是具有以下结构的苯胺嘧啶衍生物：1其中R1和R6如本文所定义。这些化合物在治疗对IKK抑制有响应的各种疾病方面具有实用性。因此，本文还揭示了治疗这些疾病的方法，以及含有上述化合物之一或多个化合物的药物组合物。
• Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK
  申请人：——

  公开号：US20040106634A1

  公开（公告）日：2004-06-03

  This invention generally relates to methods for treating or preventing a condition responsive to JNK inhibition, such as a metabolic condition, comprising administering to a patient in need thereof an effective amount of an Anilinopyrimidine Derivative having the following structure: 1 or a pharmaceutically acceptable salt thereof, wherein R 1 through R 6 are as defined herein.

  这项发明通常涉及用于治疗或预防对JNK抑制敏感的疾病的方法，例如代谢状况，包括向需要的患者施用具有以下结构的Anilinopyrimidine衍生物的有效剂量：1或其药用可接受盐，其中R1至R6如本文所定义。
• Salicylamides as serine protease inhibitors
  申请人：——

  公开号：US20020052343A1

  公开（公告）日：2002-05-02

  The present invention provides novel compounds of Formula I: 1 its prodrug forms, or pharmaceutically acceptable salts thereof. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals. The present invention also provides a process for the selective acylation of an amino group.

  本发明提供了Formula I的新化合物、其前药形式或其药用可接受的盐。本发明的化合物是丝氨酸蛋白酶、尿激酶（uPA）、凝血因子Xa（FXa）和/或凝血因子VIIa（FVIIa）的抑制剂，并且具有作为抗癌剂和/或抗凝剂在哺乳动物中治疗或预防血栓栓塞性疾病的用途。本发明还提供了一种选择性酰化氨基团的方法。
• Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein
  申请人：Sturzebecher Jorg

  公开号：US20060148901A1

  公开（公告）日：2006-07-06

  The invention relates to the use of acylated 4-amidino- or 4-guanidinobenzylamine in accordance with the general formula I P4-P3-P2-P1  (I), where P4 is a monosubstituted or polysubstituted or unsubstituted benzylsulfonyl group, P3 is a monosubstituted or polysubstituted or unsubstituted, natural or unnatural α-amino acid or α-imino acid in the D configuration, P2 is a monosubstituted or polysubstituted or unsubstituted, natural or unnatural α-amino acid or α-imino acid in the L configuration, and P1 is a monosubstituted or polysubstituted or unsubstituted 4-amidino- or 4-guanidinobenzylamine group, for inhibiting plasma kallikrein (PK), factor XIa and factor XIIa, in particular for preventing the activation of coagulation at synthetic surfaces and for systemic administration as anticoagulants/-antithrombotic agents, in particular for preventing the activation of coagulation at synthetic surfaces for the purpose of averting thromboembolic events.

  本发明涉及使用通式IP4-P3-P2-P1的酰化4-氨基酰胺或4-鸟氨酰胺苯甲胺，其中，P4是单取代、多取代或未取代的苯甲磺酰基，P3是单取代、多取代或未取代的天然或非天然的D构型α-氨基酸或α-亚氨酸，P2是单取代、多取代或未取代的天然或非天然的L构型α-氨基酸或α-亚氨酸，P1是单取代、多取代或未取代的4-氨基酰胺或4-鸟氨酰胺苯甲胺基团，用于抑制血浆激酶（PK）、XIa因子和XIIa因子，特别是用于在合成表面上预防凝血的激活和全身给药作为抗凝血剂/-抗血栓剂，特别是用于预防在合成表面上凝血的激活以避免血栓栓塞事件的发生。