3'-O-(4-苯甲酰基)苯甲酰基腺苷5'-三磷酸酯 | 81790-82-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 中文名称: 3'-O-(4-苯甲酰基)苯甲酰基腺苷5'-三磷酸酯
• 英文名称: BzATP
• 英文别名: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate
• CAS: 81790-82-1
• 化学式: C₂₄H₂₄N₅O₁₅P₃
• 分子量: 715.4
• InChiKey: AWJJLYZBWRIBCZ-UGTJMOTHSA-N

物化性质

• 沸点：
  1038.0±75.0 °C(Predicted)
• 密度：
  1.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  302
• 氢给体数：
  6
• 氢受体数：
  19

文献信息

• Bicycloheteroaryl compounds as P2X7 modulators and uses thereof
  申请人：Kelly G. Michael

  公开号：US20060217448A1

  公开（公告）日：2006-09-28

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  公开了具有以下公式代表的Bicycloheteroaryl化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。
• INTERMEDIATE COMPOUNDS USEFUL TO PREPARE DOLASETRON
  申请人：Perez Andres Juan Antonio

  公开号：US20090124807A1

  公开（公告）日：2009-05-14

  The present invention relates to intermediates useful in the synthesis of Dolasetron and synthetic precursors thereof, as well as to processes for obtaining them. In addition, it refers to the hydrochloric salt of Dolasetron and polymorphic forms of Dolasetron and precursors thereof.

  本发明涉及用于合成多拉司通及其合成前体的中间体，以及获得它们的过程。此外，它还涉及多拉司通的盐酸盐和多拉司通及其前体的多形态形式。
• Inhibitors of GPR87 for cancer therapy
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1900377A1

  公开（公告）日：2008-03-19

  Use of GPR87 for the generation of GPR87 inhibitors. GPR87 inhibitors, e.g. anti-GPR87 antibodies and small molecules, are useful as drugs in the treatment of cancer. Methods for identifying small molecule GPR87 inhibitors employ cells transfected with GPR87 or GPR87-G-alpha fusion proteins.

  利用 GPR87 生成 GPR87 抑制剂。GPR87 抑制剂，如抗 GPR87 抗体和小分子药物，可作为治疗癌症的药物。鉴定小分子 GPR87 抑制剂的方法采用转染有 GPR87 或 GPR87-G-alpha 融合蛋白的细胞。
• Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist
  申请人：Fishman Pina

  公开号：US20060084626A1

  公开（公告）日：2006-04-20

  Adenosine receptor agonists, particularly an agonist which binds to the A3 adenosine receptor, are used for induction of production or secretion of G-CSF within the body, prevention or treatment of toxic side effects of a drug or prevention or treatment of leukopenia, particularly drug-induced leukopenias; and inhibition of abnormal cell growth and proliferation.

  腺苷受体激动剂，特别是与 A3 腺苷受体结合的激动剂，可用于诱导体内产生或分泌 G-CSF，预防或治疗药物的毒副作用，或预防或治疗白细胞减少症，特别是药物引起的白细胞减少症；以及抑制细胞的异常生长和增殖。
• Intermediate compounds useful to prepare dolasetron
  申请人：INKE, S.A.

  公开号：EP2060557B1

  公开（公告）日：2012-06-06