(2S)-ethyl 2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3'-fluoro-[1,1'-biphenyl]-4-yl)ethoxy)pyrimidin-4-yl)phenyl)propanoate | 1028442-89-8

• 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: (2S)-ethyl 2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3'-fluoro-[1,1'-biphenyl]-4-yl)ethoxy)pyrimidin-4-yl)phenyl)propanoate
• 英文别名: LP920540；LP-615819；ethyl (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoate
• CAS: 1028442-89-8
• 化学式: C₂₉H₂₆F₄N₄O₃
• 分子量: 554.544
• InChiKey: YMKXJQJOYWHHKL-ZZHFZYNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  乙醇 、 (S)-2-amino-3-(4-{2-amino-6-[2,2,2-trifluoro-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid hydrochloride 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 (2S)-ethyl 2-amino-3-(4-(2-amino-6-(2,2,2-trifluoro-1-(3'-fluoro-[1,1'-biphenyl]-4-yl)ethoxy)pyrimidin-4-yl)phenyl)propanoate
  参考文献：
  名称：

  Modulation of Peripheral Serotonin Levels by Novel Tryptophan Hydroxylase Inhibitors for the Potential Treatment of Functional Gastrointestinal Disorders

  摘要：

  The discovery of a novel class of peripheral tryptophan hydroxylase (TPH) inhibitors is described. This class of TPH inhibitors exhibits excellent potency in in vitro biochemical and cell-based assays, and it selectively reduces serotonin levels in the murine intestine after oral administration without affecting levels in the brain. These TPH1 inhibitors may provide novel treatments for gastrointestinal disorders associated with dysregulation of the serotonergic system, such as chemotherapy-induced emesis and irritable bowel syndrome.

  DOI：

  10.1021/jm800338j

文献信息

• METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES
  申请人：Karsenty Gerard

  公开号：US20110152220A1

  公开（公告）日：2011-06-23

  The present invention provides methods and therapeutic agents for lowering or increasing serum serotonin levels in a patient in order to increase or decrease bone mass, respectively. In preferred embodiments, the patient is known to have, or to be at risk for, a low bone mass disease such as osteoporosis and the agents are TPH1 inhibitors or serotonin receptor antagonists.

  本发明提供了降低或增加患者血清5-羟色胺水平的方法和治疗剂，以分别增加或减少骨量。在优选实施方式中，患者已知患有或有患低骨量疾病（如骨质疏松症）的风险，药剂为TPH1抑制剂或5-羟色胺受体拮抗剂。
• METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES
  申请人：Karsenty Gerard

  公开号：US20110281899A1

  公开（公告）日：2011-11-17

  The present invention provides methods and therapeutic agents for lowering or increasing serum serotonin levels in a patient in order to increase or decrease bone mass, respectively. In preferred embodiments, the patient is known to have, or to be at risk for, a low bone mass disease such as osteoporosis and the agents are TPH1 inhibitors or serotonin receptor antagonists.

  本发明提供了降低或增加患者血清5-羟色胺水平以增加或减少骨量的方法和治疗剂。在优选实施例中，患者已知患有或有患低骨量疾病（如骨质疏松症）的风险，治疗剂为TPH1抑制剂或5-羟色胺受体拮抗剂。
• METHODS OF DIAGNOSING, PREVENTING, AND TREATING BONE MASS DISEASES
  申请人：Karsenty Gerard

  公开号：US20150111908A1

  公开（公告）日：2015-04-23

  The present invention provides methods and therapeutic agents for lowering or increasing serum serotonin levels in a patient in order to increase or decrease bone mass, respectively. In preferred embodiments, the patient is known to have, or to be at risk for, a low bone mass disease such as osteoporosis and the agents are TPH1 inhibitors or serotonin receptor antagonists.

  本发明提供了降低或增加患者血清5-羟色胺水平以增加或减少骨量的方法和治疗剂。在优选实施例中，患者已知患有或有患低骨量疾病（如骨质疏松症）的风险，所使用的治疗剂为TPH1抑制剂或5-羟色胺受体拮抗剂。
• Method of treating obesity
  申请人：McMaster University

  公开号：US11278549B2

  公开（公告）日：2022-03-22

  A method of treating obesity and obesity-related disorders in a mammal is provided. The method comprises the step of administering to the mammal a compound or entity that inhibits the HTR2a receptor.

  本发明提供了一种治疗哺乳动物肥胖和肥胖相关疾病的方法。该方法包括向哺乳动物施用抑制 HTR2a 受体的化合物或实体的步骤。
• METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20140303197A1

  公开（公告）日：2014-10-09

  The present invention relates to preventing and treating leukemia and other cancers of the blood and bone, as well as disorders of the blood, by inhibiting gut-derived serotonin. The inhibition of the gut-derived serotonin is accomplished by inhibiting Tph1, an enzyme responsible for the production of gut-derived serotonin. The present invention also relates to preventing and treating leukemia and other cancers of the blood and bone, as well as disorders of the blood, by increasing the number, growth and proliferation of osteoblasts.