4-(azidomethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide | 368426-25-9

• 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-(azidomethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
• CAS: 368426-25-9
• 化学式: C₈H₈FN₅O
• 分子量: 209.183
• InChiKey: FUBVIGWJCMKQDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  73
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(azidomethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide 在 N-甲基吗啉 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 caesium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成
  参考文献：
  名称：

  Novel, Potent Non-Covalent Thrombin Inhibitors Incorporating P3-Lactam Scaffolds

  摘要：

  Evolution of P-1-argininal inhibitor prototypes led to a series of non-covalent P-3-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S-1, S-2, and S-3 specificity pockets of thrombin. Rigid P-1-arginine surrogates possessing a wide range of basicity (calcd pK(a)'ssimilar toneutral-14) were surveyed. The design, synthesis, and biological activity of these targets are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00010-0
• 作为产物：
  描述：

  4-溴-2-氟甲苯 在 N-甲基吗啉 、 N-溴代丁二酰亚胺(NBS) 、 sodium azide 、 盐酸羟胺 、 过氧化苯甲酰 作用下， 以 甲醇 、 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 117.0h， 生成 4-(azidomethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
  参考文献：
  名称：

  Novel, Potent Non-Covalent Thrombin Inhibitors Incorporating P3-Lactam Scaffolds

  摘要：

  Evolution of P-1-argininal inhibitor prototypes led to a series of non-covalent P-3-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S-1, S-2, and S-3 specificity pockets of thrombin. Rigid P-1-arginine surrogates possessing a wide range of basicity (calcd pK(a)'ssimilar toneutral-14) were surveyed. The design, synthesis, and biological activity of these targets are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00010-0

文献信息

• Non-covalent inhibitors of urokinase and blood vessel formation
  申请人：Corvas International, Inc.

  公开号：US06586405B2

  公开（公告）日：2003-07-01

  Novel compounds having activity as non-covalent inhibitors of urokinase and having activity in reducing or inhibiting blood vessel formation are provided. These compounds have P1 a group having an amidino or guanidino moiety or derivative thereof. These compounds are useful in vitro for monitoring plasminogen activator levels and in vivo in treatment of conditions which are ameliorated by inhibition of or decreased activity of urokinase and in treating pathologic conditions wherein blood vessel formation is related to a pathologic condition.

  提供了一种具有作为尿激酶非共价抑制剂活性并具有减少或抑制血管形成活性的新化合物。这些化合物具有P1基团，其具有酰胺基团或胍基团或其衍生物。这些化合物在体外用于监测纤溶酶原激活剂水平，在体内用于治疗通过抑制尿激酶或减少其活性而得到缓解的疾病症状，并用于治疗血管形成与病理病况相关的病理病况。
• Novel, Potent Non-Covalent Thrombin Inhibitors Incorporating P3-Lactam Scaffolds
  作者：Jonathan Z Ho、Tony S Gibson、J.Edward Semple

  DOI：10.1016/s0960-894x(02)00010-0

  日期：2002.3

  Evolution of P-1-argininal inhibitor prototypes led to a series of non-covalent P-3-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S-1, S-2, and S-3 specificity pockets of thrombin. Rigid P-1-arginine surrogates possessing a wide range of basicity (calcd pK(a)'ssimilar toneutral-14) were surveyed. The design, synthesis, and biological activity of these targets are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.