2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid | 440354-06-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-amino-4-hydroxy-4-(3-hydroxyphenyl)butanoic acid
• CAS: 440354-06-3
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.21
• InChiKey: APPLEPDDBNLZPX-UHFFFAOYSA-N

物化性质

• 沸点：
  508.4±50.0 °C(Predicted)
• 密度：
  1.402±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• [EN] (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS<br/>[FR] (R)-4-((4-((4-(TÉTRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)MÉTHYL) PIPÉRIDIN-1-YL)MÉTHYL)TÉTRAHYDRO-2H-PYRAN-4-OLE, AGONISTE PARTIEL DES RÉCEPTEURS 5-HT4
  申请人：PFIZER

  公开号：WO2011101774A1

  公开（公告）日：2011-08-25

  (R)-4-((4-((4-(tetrahydrofuran-3-yloxy)benzo[d]isoxazol-3- yloxy)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-ol and its use in treating neurodegenerative disorders, is described herein.

  (R)-4-((4-((4-(四氢呋喃-3-氧基)苯并[d]异噁唑-3-氧基)甲基)哌啶-1-基)甲基)四氢-2H-吡喃-4-醇及其在治疗神经退行性疾病中的用途在此描述。
• (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS
  申请人：Waizumi Nobuaki

  公开号：US20120041026A1

  公开（公告）日：2012-02-16

  (R)-4-((4-((4-(tetrahydrofuran-3-yloxy)benzo[d]isoxazol-3-yloxy)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-ol and its use in treating neurodegenerative disorders, is described herein.

  本文描述了(R)-4-((4-((4-(四氢呋喃-3-氧基)苯并[d]异噁唑-3-氧基)甲基)哌啶-1-基)甲基)四氢-2H-吡喃-4-醇及其用于治疗神经退行性疾病的用途。
• 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.
• [EN] TREATMENT OF ANEURYSMS<br/>[FR] TRAITEMENT DES ANÉVRISMES
  申请人：UNIV GEORGIA STATE RES FOUND

  公开号：WO2019006384A1

  公开（公告）日：2019-01-03

  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.