3-methyl-1-(3-fluoro-2-naphthyl)-1H-pyrazole-5-carboxylic acid | 330803-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-methyl-1-(3-fluoro-2-naphthyl)-1H-pyrazole-5-carboxylic acid
• 英文别名: 2-(3-Fluoronaphthalen-2-yl)-5-methylpyrazole-3-carboxylic acid
• CAS: 330803-48-0
• 化学式: C₁₅H₁₁FN₂O₂
• 分子量: 270.263
• InChiKey: FLOOZIHCEFMYGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-氨基-3-氟)苯基-2-(N,N-二甲氨基)甲基咪唑 、 3-methyl-1-(3-fluoro-2-naphthyl)-1H-pyrazole-5-carboxylic acid 在 吡啶 、 三氯氧磷 作用下， 生成
  参考文献：
  名称：

  1-(2-Naphthyl)-1 H -pyrazole-5-carboxylamides as potent factor Xa inhibitors. Part 2: A survey of P4 motifs

  摘要：

  A variety of P4 motifs have been examined to increase the binding affinity and in vitro anticoagulant potency of our biphenyl 1-(2-naphthyl)-1H-pyrazole-5-carboxylamide-based fXa inhibitors. Highly potent 2-naphthyl-P1 fxa inhibitors (K-i less than or equal to 2 nM) with improved in vitro anticoagulant activity (2 x TG less than or equal to 1 muM) and respectable pharmacokinetic properties have been discovered. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.12.053

文献信息

• Inhibitors of factor Xa
  申请人：——

  公开号：US20020091116A1

  公开（公告）日：2002-07-11

  Novel compounds, their salts and compositions related thereto having activity against mammalian factor Xa are disclosed. The compounds are useful in vitro or in vivo for preventing or treating coagulation disorders.

  揭示了针对哺乳动物因子Xa具有活性的新化合物、它们的盐和相关组合物。这些化合物在体外或体内用于预防或治疗凝血障碍。
• US6632815B2
  申请人：——

  公开号：US6632815B2

  公开（公告）日：2003-10-14
• 1-(2-Naphthyl)-1 H -pyrazole-5-carboxylamides as potent factor Xa inhibitors. Part 2: A survey of P4 motifs
  作者：Zhaozhong J. Jia、Yanhong Wu、Wenrong Huang、Penglie Zhang、Lane A. Clizbe、Erick A. Goldman、Uma Sinha、Ann E. Arfsten、Susan T. Edwards、Merlyn Alphonso、Athiwat Hutchaleelaha、Robert M. Scarborough、Bing-Yan Zhu

  DOI：10.1016/j.bmcl.2003.12.053

  日期：2004.3

  A variety of P4 motifs have been examined to increase the binding affinity and in vitro anticoagulant potency of our biphenyl 1-(2-naphthyl)-1H-pyrazole-5-carboxylamide-based fXa inhibitors. Highly potent 2-naphthyl-P1 fxa inhibitors (K-i less than or equal to 2 nM) with improved in vitro anticoagulant activity (2 x TG less than or equal to 1 muM) and respectable pharmacokinetic properties have been discovered. (C) 2003 Elsevier Ltd. All rights reserved.