3-[6-oxo-1-(2-phenethylamino-pyrimidin-4-yl)-8-phenyl-1,3,4,6-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-3-yl]-propionic acid | 861839-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-[6-oxo-1-(2-phenethylamino-pyrimidin-4-yl)-8-phenyl-1,3,4,6-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-3-yl]-propionic acid
• 英文别名: 3-[4-oxo-2-phenyl-9-[2-(2-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-7-yl]propanoic acid
• CAS: 861839-43-2
• 化学式: C₂₈H₂₈N₆O₃
• 分子量: 496.569
• InChiKey: KXBRUSIIJTWFSI-UHFFFAOYSA-N

物化性质

• 沸点：
  743.9±70.0 °C(predicted)
• 密度：
  1.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-[6-oxo-1-(2-phenethylamino-pyrimidin4-yl)-8-phenyl-1,3,4,6-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-3-yl]-propionic acid ethyl ester 在 lithium hydroxide 、 水 、 sodium dihydrogenphosphate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 3-[6-oxo-1-(2-phenethylamino-pyrimidin-4-yl)-8-phenyl-1,3,4,6-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-3-yl]-propionic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE
  [FR] COMPOSES HETEROCYCLIQUES SUBSTITUES ET LEURS METHODES D'UTILISATION

  摘要：

  公开号：

  WO2005070932A3

文献信息

• Substituted heterocyclic compounds and methods of use
  申请人：Frohn J. Michael

  公开号：US20050187223A1

  公开（公告）日：2005-08-25

  The present invention relates to pyrimidinones and pyridones and derivatives thereof, and pharmaceutically acceptable salts thereof. Also included is a method of treatment of inflammation, rheumatoid arthritis, Pagets disease, osteoporosis, multiple myeloma, uveititis, acute or chronic myelogenous leukemia, pancreatic β cell destruction, osteoarthritis, rheumatoid spondylitis, gouty arthritis, inflammatory bowel disease, adult respiratory distress syndrome (ARDS), psoriasis, Crohn's disease, allergic rhinitis, ulcerative colitis, anaphylaxis, contact dermatitis, asthma, muscle degeneration, cachexia, Reiter's syndrome, type I diabetes, type II diabetes, bone resorption diseases, graft vs. host reaction, Alzheimer's disease, stroke, myocardial infarction, ischemia reperfusion injury, atherosclerosis, brain trauma, multiple sclerosis, cerebral malaria, sepsis, septic shock, toxic shock syndrome, fever, myalgias due to HIV-1, HIV-2, HIV-3, cytomegalovirus (CMV), influenza, adenovirus, the herpes viruses or herpes zoster infection in a mammal comprising administering an effective amount a compound as described above.

  本发明涉及嘧啶酮和吡啶酮及其衍生物以及其药学上可接受的盐。还包括一种治疗炎症、类风湿性关节炎、帕吉特氏病、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性或慢性髓性白血病、胰岛素β细胞破坏、骨关节炎、类风湿脊柱炎、痛风性关节炎、炎症性肠病、成人呼吸窘迫综合症（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性反应、接触性皮炎、哮喘、肌肉退化、消瘦症、Reiter综合征、1型糖尿病、2型糖尿病、骨吸收疾病、移植物抗宿主反应、阿尔茨海默病、中风、心肌梗塞、缺血再灌注损伤、动脉粥样硬化、脑外伤、多发性硬化症、脑疟疾、败血症、脓毒性休克综合征、发热、HIV-1、HIV-2、HIV-3、巨细胞病毒（CMV）、流感、腺病毒、疱疹病毒或带状疱疹感染的哺乳动物的方法，包括给予上述化合物的有效量。
• N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1706396A1

  公开（公告）日：2006-10-04
• SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE
  申请人：AMGEN INC.

  公开号：EP1716150A2

  公开（公告）日：2006-11-02
• US7504403B2
  申请人：——

  公开号：US7504403B2

  公开（公告）日：2009-03-17
• [EN] N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA<br/>[FR] ACETAMIDES DE N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYLE UTILISES EN TANT QU'INHIBITEURS DE LA FORMATION DE FACTEURS DE COAGULATION XA, IXA ET THROMBINE INDUITS PAR LE FACTEUR VIIA
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005058868A1

  公开（公告）日：2005-06-30

  The invention is concerned with novel heterocyclyl substituted mandelic acid derivatives of formula (I) wherein R1 to R6 and A are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit the formation of coagulation factors Xa, IXa and thrombin induced by factor VIIa and tissue factor and can be used as medicaments.