3-溴-2-(氯甲基)-4H-吡啶并[1,2-a]嘧啶-4-酮 | 87779-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 3-溴-2-(氯甲基)-4H-吡啶并[1,2-a]嘧啶-4-酮
• 英文名称: 3-bromo-2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
• 英文别名: 3-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
• CAS: 87779-01-9
• 化学式: C₉H₆BrClN₂O
• 分子量: 273.516
• InChiKey: UOQARUIEXGTABL-UHFFFAOYSA-N

物化性质

• 沸点：
  344.5±52.0 °C(Predicted)
• 密度：
  1.76±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-溴-2-(氯甲基)-4H-吡啶并[1,2-a]嘧啶-4-酮 生成 3-Bromo-2-(diethoxyphosphinothioylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
  参考文献：
  名称：

  DEKEYSER, M. A.;PIERCE, B. J.;MOORE, R. C.;HUBBARD, L.

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯甲基-4h-吡啶并[1,2-a]嘧啶-4-酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 溶剂黄146 为溶剂， 反应 4.5h， 生成 3-溴-2-(氯甲基)-4H-吡啶并[1,2-a]嘧啶-4-酮
  参考文献：
  名称：

  [EN] 4H - PYRIDO [ 1, 2 - A] PYRIMIDIN - 4 - ONE DERIVATIVES AS PI3 K INHIBITORS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2010151735A3

文献信息

• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Cushing Timothy David

  公开号：US20120083502A1

  公开（公告）日：2012-04-05

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110 activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia (T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有取代的双环杂芳基及其组合物，用于治疗一般性炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠病、炎症性眼病、炎症性或不稳定的膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症病症，包括但不限于自身免疫性疾病，如系统性红斑狼疮（SLE）、肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、干燥综合症和自身免疫性溶血性贫血，过敏性疾病，包括所有形式的过敏反应。本发明还提供了治疗与p110活性介导、依赖或相关的癌症的方法，包括但不限于白血病，如急性髓性白血病（AML）、骨髓增生异常综合症（MDS）、骨髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非何杰金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。
• Heterocyclic compounds and their uses
  申请人：Cushing Timothy David

  公开号：US08754089B2

  公开（公告）日：2014-06-17

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110 activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia (T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有替代双环杂环芳基的化合物及其组合物，用于治疗一般性炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠病、炎症性眼病、炎症性或不稳定的膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫性疾病，如系统性红斑狼疮（SLE）、重症肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、Sjoegren综合征和自身免疫性溶血性贫血，包括所有形式的过敏症。本发明还提供了治疗与p110活性有关、依赖于或与之相关的癌症的方法，包括但不限于白血病，如急性髓性白血病（AML）、骨髓增生异常综合征（MDS）、骨髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体瘤，如乳腺癌。
• Substituted pyrimidinyl organophosphorus compounds, compositions thereof, methods of controlling pests and intermediates in the preparation of the compounds
  申请人：UNIROYAL, INC.

  公开号：EP0156121A2

  公开（公告）日：1985-10-02

  Chemical intermediates, useful in making insecticidal organophosphorus compounds, having the formula wherein Rand R'together form a 1,3-butadien-1,4-diylgroup optionally substituted with a methyl or chloro group, orR and R' together form a 1,2-ethenediylthio group wherein sulfur is attached to carbon and R' is hydrogen or halogen.

  可用于制造杀虫有机磷化合物的化学中间体，其式中 Rand R'共同组成可选被甲基或氯基取代的 1,3-丁二烯-1,4-二基，或 R 和 R'共同组成 1,2-乙烯二硫基，其中硫与碳相连，R'为氢或卤素。
• 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS
  申请人：Amgen, Inc

  公开号：EP2445898A2

  公开（公告）日：2012-05-02
• US8754089B2
  申请人：——

  公开号：US8754089B2

  公开（公告）日：2014-06-17