3-Bromo-9-(3-cyclohexyl-2-hydroxy-propyl)-2-pyridin-4-yl-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one | 845910-18-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-Bromo-9-(3-cyclohexyl-2-hydroxy-propyl)-2-pyridin-4-yl-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one
• 英文别名: 3-bromo-9-(3-cyclohexyl-2-hydroxypropyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• CAS: 845910-18-1
• 化学式: C₂₁H₂₇BrN₄O₂
• 分子量: 447.375
• InChiKey: CYUZJICJGGWHNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  69
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Bromo-9-(3-cyclohexyl-2-hydroxy-propyl)-2-pyridin-4-yl-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one 、 2-萘硼酸 在 tris-(dibenzylideneacetone)dipalladium(0) potassium phosphate 、 三苯基膦 作用下， 以 1,4-二氧六环 为溶剂， 生成 (3-cyclohexyl-2-hydroxy-propyl)-2-pyridin-4-yl-3-naphthalen-6,7,8,9-tetrahydro-pyrimido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  Substituted heterocyclic compounds and methods of use

  摘要：

  本发明涉及具有一般式的化合物或其药学上可接受的盐，其中R1是饱和或不饱和的5、6或7成员环，含有0、1、2或3个来自N、O和S的原子，其中环可能与苯环融合，并且被0、1或2个氧代基取代，并且R1还被取代；R2是取代的C1-6烷基。还包括一种预防或治疗炎症、类风湿性关节炎、帕盖特病、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性或慢性骨髓性白血病、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、成人呼吸窘迫综合征（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性休克、接触性皮炎、哮喘、肌肉退化、消瘦症、Reiter综合征、I型糖尿病、II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、心肌梗死、缺血再灌注损伤、动脉粥样硬化、脑外伤、多发性硬化症、脑型疟疾、败血症、感染性休克、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、单纯疱疹病毒或带状疱疹感染引起的肌肉疼痛的方法，包括向哺乳动物施用上述化合物的有效量。

  公开号：

  US20050043301A1

文献信息

• SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE
  申请人：AMGEN INC.

  公开号：EP1656366A1

  公开（公告）日：2006-05-17
• US7429594B2
  申请人：——

  公开号：US7429594B2

  公开（公告）日：2008-09-30
• [EN] SUBSTITUTED PYRIMDINONE DERIVATIVES AND METHODS OF USE<br/>[FR] DERIVES DE PYRIMDINONE SUBSTITUES ET LEURS PROCEDES D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2005019202A1

  公开（公告）日：2005-03-03

  The present invention relates to compounds having the general formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 is a saturated or unsaturated 5-, 6- or 7-membered, ring containing 0, 1, 2 or 3 atoms selected from N, 0 and S, wherein the ring may be fused with a benzo group, and is substituted by 0, 1 or 2 oxo groups, and wherein R1 is additionally substituted; and R2 is a substituted C1-6alkyl. Also included is a method of prophylaxis or treatment of inflammation, rheumatoid arthritis, Pagets disease, osteoporosis, multiple myeloma, uveititis, acute or chronic myelogenous leukemia, pancreatic ß 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.
• Substituted heterocyclic compounds and methods of use
  申请人：Liu Longbin

  公开号：US20050043301A1

  公开（公告）日：2005-02-24

  The present invention relates to compounds having the general formula or a pharmaceutically acceptable salt thereof, wherein R 1 is a saturated or unsaturated 5-, 6- or 7-membered, ring containing 0, 1, 2 or 3 atoms selected from N, O and S, wherein the ring may be fused with a benzo group, and is substituted by 0, 1 or 2 oxo groups, and wherein R 1 is additionally substituted; and R 2 is a substituted C 1-6 alkyl. Also included is a method of prophylaxis or 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.

  本发明涉及具有一般式的化合物或其药学上可接受的盐，其中R1是饱和或不饱和的5、6或7成员环，含有0、1、2或3个来自N、O和S的原子，其中环可能与苯环融合，并且被0、1或2个氧代基取代，并且R1还被取代；R2是取代的C1-6烷基。还包括一种预防或治疗炎症、类风湿性关节炎、帕盖特病、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性或慢性骨髓性白血病、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、成人呼吸窘迫综合征（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性休克、接触性皮炎、哮喘、肌肉退化、消瘦症、Reiter综合征、I型糖尿病、II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、心肌梗死、缺血再灌注损伤、动脉粥样硬化、脑外伤、多发性硬化症、脑型疟疾、败血症、感染性休克、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、单纯疱疹病毒或带状疱疹感染引起的肌肉疼痛的方法，包括向哺乳动物施用上述化合物的有效量。