5-cyano-2-nitrobenzoic acid | 1147107-28-5

• 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: 5-cyano-2-nitrobenzoic acid
• CAS: 1147107-28-5
• 化学式: C₈H₄N₂O₄
• 分子量: 192.131
• InChiKey: KNKIHOIACHAYEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氨基-5-氯吡啶 、 5-cyano-2-nitrobenzoic acid 在 吡啶 、 三氯氧磷 作用下， 生成
  参考文献：
  名称：

  Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide, a highly potent, selective, and orally efficacious factor Xa inhibitor

  摘要：

  Systematic SAR studies of in vitro factor Xa inhibitory activity around compound 1 were performed by modifying each of the three phenyl rings. A class of highly potent, selective, efficacious and orally bioavailable direct factor Xa inhibitors was discovered. These compounds were screened in hERG binding assays to examine the effects of substitution groups on the hERG channel affinity. From the leading compounds, betrixaban (compound 11, PRT054021) has been selected as the clinical candidate for development. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.111

文献信息

• AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP2206707B1

  公开（公告）日：2014-07-23
• US8304547B2
  申请人：——

  公开号：US8304547B2

  公开（公告）日：2012-11-06
• [EN] IMPROVED METHOD OF DETECTING BIOMARKERS IN A BIOLOGICAL SAMPLE<br/>[FR] PROCÉDÉ AMÉLIORÉ DE DÉTECTION DE BIOMARQUEURS DANS UN ÉCHANTILLON BIOLOGIQUE
  申请人：UNIV ZUERICH

  公开号：WO2021198098A1

  公开（公告）日：2021-10-07

  Provided is a novel method of increasing the level of a soluble target protein in a biological sample by subjecting the sample to a protein cleavage reaction which does not affect the target protein. The target protein may be Abeta 42 and the biological sample may be a plasma sample from a subject, e.g. human subject. Together with appropriate detection means and methods such as cyclic amplification systems, the method of the present invention is particularly suitable for quantifying the minimal detectable amount of a target protein in a biological sample, which could serve as a biomarker in the diagnosis of a disease associated with the target protein. In particular, such disease may be Alzheimer's disease.