(3-Nitrobenzoyl)alanine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-Nitrobenzoyl)alanine
• 英文别名: 2-azaniumyl-4-(3-nitrophenyl)-4-oxobutanoate
• 化学式: C10H10N2O5
• 分子量: 238.2
• InChiKey: KBJZPNMDKSNLIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Treatment of aneurysms
  申请人：Georgia State University Research Foundation, Inc.

  公开号：US11376248B2

  公开（公告）日：2022-07-05

  The present invention provides methods for detecting and/or treating a subject having an aneurysm or at risk for developing an aneurysm. It has been discovered that a key metabolite of the kynurenine (Kyn) pathway, a major route for the metabolism of essential amino acid tryptophan (Trp) into nicotinamide adenine dinucleotide (NAD+), plays a critical role in the formation of aneurysms, for example abdominal aortic aneurysms. In particular, it has been discovered that 3-Hydroxyanthranilic acid (3-HAA), a product of kynureninase (KYNU), plays a causative role in the formation of aneurysms by, for example exerting pro-inflammatory effects on vascular smooth muscle cells. It has further been discovered that elevated levels of 3-HAA are indicative of the presence and/or progression of an aneurysm, and 3-HAA levels correlate with the size (aortic diameter) of the aneurysm.

  本发明提供了检测和/或治疗患有动脉瘤或有罹患动脉瘤风险的受试者的方法。现已发现，犬尿氨酸（Kyn）途径的一种关键代谢物--将必需氨基酸色氨酸（Trp）代谢为烟酰胺腺嘌呤二核苷酸（NAD+）的主要途径--在动脉瘤（例如腹主动脉瘤）的形成中起着关键作用。特别是，研究发现，3-羟基氨基苯甲酸（3-HAA）是犬尿苷酶（KYNU）的产物，通过对血管平滑肌细胞产生促炎作用等方式，在动脉瘤的形成过程中起着致病作用。研究进一步发现，3-HAA 水平的升高表明动脉瘤的存在和/或发展，3-HAA 水平与动脉瘤的大小（主动脉直径）相关。
• TREATMENT OF ANEURYSMS
  申请人：Georgia State University Research Foundation, Inc.

  公开号：US20200138810A1

  公开（公告）日：2020-05-07

  The present invention provides methods for detecting and/or treating a subject having an aneurysm or at risk for developing an aneurysm. It has been discovered that a key metabolite of the kynurenine (Kyn) pathway, a major route for the metabolism of essential amino acid tryptophan (Trp) into nicotinamide adenine dinucleotide (NAD+), plays a critical role in the formation of aneurysms, for example abdominal aortic aneurysms. In particular, it has been discovered that 3-Hydroxyanthranilic acid (3-HAA), a product of kynureninase (KYNU), plays a causative role in the formation of aneurysms by, for example exerting pro-inflammatory effects on vascular smooth muscle cells. It has further been discovered that elevated levels of 3-HAA are indicative of the presence and/or progression of an aneurysm, and 3-HAA levels correlate with the size (aortic diameter) of the aneurysm.