4-(2-Carbamoyl-pyridin-4-yl)-benzoic acid | 281233-36-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(2-Carbamoyl-pyridin-4-yl)-benzoic acid
• 英文别名: 4-(2-Carbamoylpyridin-4-yl)benzoic acid
• CAS: 281233-36-1
• 化学式: C₁₃H₁₀N₂O₃
• 分子量: 242.234
• InChiKey: OGNCROSTLPAKQY-UHFFFAOYSA-N

物化性质

• 沸点：
  499.1±40.0 °C(Predicted)
• 密度：
  1.351±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-Carbamoyl-pyridin-4-yl)-benzoic acid 、 (E)-3-(3-aminopropenyl)-4-(2-methoxy-ethoxymethoxy)benzonitrile 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(4-{(E)-3-[5-Cyano-2-(2-methoxy-ethoxymethoxy)-phenyl]-allylcarbamoyl}-phenyl)-pyridine-2-carboxylic acid amide
  参考文献：
  名称：

  Amido-(propyl and allyl)-hydroxybenzamidines: development of achiral inhibitors of factor Xa

  摘要：

  The design, synthesis and SAR of amido-(propyl and allyl)-hydroxybenzamidine coagulation factor Xa inhibitors is described. These achiral inhibitors are selective for fXa vis a vis structurally related serine proteases and are readily prepared in 6-7 linear steps. The most potent member 9j (fXa K-i = 0.75 nM) is selective (>1000-fold) and an effective anticoagulant in mammalian plasma. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00673-3

文献信息

• Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US20030153604A1

  公开（公告）日：2003-08-14

  This invention is directed to an (aminoiminomethyl or aminomethyl)benzoheteroaryl compound of formula I which is useful for inhibiting the activity of Factor Xa by combining said compound with a composition containing Factor Xa. The present invention is also directed to compositions containing compounds of the formula I, methods for their preparation, their use, such as in inhibiting the formation of thrombin or for treating a patient suffering from, or subject to, a disease state associated with a physiologically detrimental excess amount of thrombin.

  本发明涉及一种公式I的(氨基亚甲基或氨基甲基)苯并杂环化合物，该化合物通过与含有Xa因子的组合物结合来抑制Xa因子的活性。本发明还涉及含有公式I化合物的组合物、它们的制备方法以及它们的用途，例如抑制凝血酶的形成或治疗患有或受到与生理上有害的过量凝血酶相关的疾病状态的患者。
• SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS
  申请人：Aventis Pharmaceuticals Products Inc.

  公开号：EP1140901A2

  公开（公告）日：2001-10-10
• US6541505B1
  申请人：——

  公开号：US6541505B1

  公开（公告）日：2003-04-01
• [EN] SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS<br/>[FR] COMPOSES (AMINOIMINOMETHYL OU AMINOMETHYL)BENZOHETEROARYLE SUBSTITUES
  申请人：AVENTIS PHARM PROD INC

  公开号：WO2000039087A2

  公开（公告）日：2000-07-06

  This invention is directed to an (aminoiminomethyl or aminomethyl)benzoheteroaryl compound of formula (I): wherein X is O, S or NR1 which is useful for inhibiting the activity of Factor Xa by combining said compound with a composition containing Factor Xa. The present invention is also directed to compositions containing compounds of formula (I), methods for their preparation, their use, such as in inhibiting the formation of thrombin or for treating a patient suffering from, or subject to, a disease state associated with a physiologically detrimental excess amount of thrombin.
• Amido-(propyl and allyl)-hydroxybenzamidines: development of achiral inhibitors of factor Xa
  作者：Yong Gong、Henry W. Pauls、Alfred P. Spada、Mark Czekaj、Guyan Liang、Valeria Chu、Dennis J. Colussi、Karen D. Brown、Jingbo Gao

  DOI：10.1016/s0960-894x(99)00673-3

  日期：2000.2

  The design, synthesis and SAR of amido-(propyl and allyl)-hydroxybenzamidine coagulation factor Xa inhibitors is described. These achiral inhibitors are selective for fXa vis a vis structurally related serine proteases and are readily prepared in 6-7 linear steps. The most potent member 9j (fXa K-i = 0.75 nM) is selective (>1000-fold) and an effective anticoagulant in mammalian plasma. (C) 2000 Elsevier Science Ltd. All rights reserved.