3-{2,2-dimethyl-6-[6-(3-phenyl-ureido)-purin-9-yl]-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-acrylic acid methyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-{2,2-dimethyl-6-[6-(3-phenyl-ureido)-purin-9-yl]-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-acrylic acid methyl ester
• 英文别名: methyl 3-[2,2-dimethyl-4-[6-(phenylcarbamoylamino)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate
• 化学式: C₂₃H₂₄N₆O₆
• 分子量: 480.48
• InChiKey: KKFWKIPDKNPOCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-{2,2-dimethyl-6-[6-(3-phenyl-ureido)-purin-9-yl]-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-acrylic acid methyl ester 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 生成 3-{2,2-Dimethyl-6-[6-(3-phenyl-ureido)-purin-9-yl]-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-propionic acid methyl ester
  参考文献：
  名称：

  [EN] TETRAHYDRO-FURO`3,4-D!DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION
  [FR] COMPOSES TETRAHYDRO-FURO[3,4D]DIOXOLE, ET COMPOSITIONS ET PROCEDE POUR INHIBER UNE AGREGATION PLAQUETTAIRE

  摘要：

  这项发明涉及一种预防或治疗与血小板聚集相关的疾病或症状的方法。该方法还涉及一种治疗血栓形成或相关疾病的方法。该方法包括向受试者施用含有有效量非核苷酸化合物的药物组合物，优选为P2Y12受体拮抗剂化合物，其中所述量有效地抑制血小板聚集。本发明有用的化合物包括一般式I和III-XI的化合物，或其盐、水合物和溶剂合物。本发明还提供了根据一般式I和III-XI的新化合物。

  公开号：

  WO2005040174A1
• 作为产物：
  描述：

  甲氧羰基亚甲基三苯基正膦 在 2-碘酰基苯甲酸 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 3-{2,2-dimethyl-6-[6-(3-phenyl-ureido)-purin-9-yl]-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-acrylic acid methyl ester
  参考文献：
  名称：

  [EN] TETRAHYDRO-FURO`3,4-D!DIOXOLE COMPOUNDS AND COMPOSITIONS AND METHOD FOR INHIBITING PLATELET AGGREGATION
  [FR] COMPOSES TETRAHYDRO-FURO[3,4D]DIOXOLE, ET COMPOSITIONS ET PROCEDE POUR INHIBER UNE AGREGATION PLAQUETTAIRE

  摘要：

  这项发明涉及一种预防或治疗与血小板聚集相关的疾病或症状的方法。该方法还涉及一种治疗血栓形成或相关疾病的方法。该方法包括向受试者施用含有有效量非核苷酸化合物的药物组合物，优选为P2Y12受体拮抗剂化合物，其中所述量有效地抑制血小板聚集。本发明有用的化合物包括一般式I和III-XI的化合物，或其盐、水合物和溶剂合物。本发明还提供了根据一般式I和III-XI的新化合物。

  公开号：

  WO2005040174A1

文献信息

• Drug-eluting stents coated with non-nucleotide P2Y12 receptor antagonist compound
  申请人：Boyer L. Jose

  公开号：US20060121086A1

  公开（公告）日：2006-06-08

  The present invention provides a drug-eluting stent, wherein the stent is coated with one or more non-mucleotide P2Y 12 receptor antagonist compounds or a pharmaceutically acceptable salt, solvate, or hydrate thereof. When the stent is placed in a narrowed or damaged arterial vessel, a therapeutically effective amount of the P2Y 12 receptor antagonist compound is eluted continuously from the stent to the local environment of the stent. The P2Y 12 receptor antagonist compound-eluting stents are useful in preventing thrombosis and restenosis, and are effective in inhibiting the contraction of vascular smooth muscle cells, inhibiting cell proliferation, and reducing inflammation.

  本发明提供了一种药物洗脱支架，其中支架涂覆有一种或多种非核苷酸P2Y12受体拮抗剂化合物或其药学上可接受的盐、溶剂或水合物。当支架放置在狭窄或受损的动脉血管中时，治疗有效量的P2Y12受体拮抗剂化合物会不断从支架中洗脱到支架的局部环境中。P2Y12受体拮抗剂化合物洗脱支架在预防血栓形成和再狭窄方面非常有用，并且能够有效地抑制血管平滑肌细胞的收缩、抑制细胞增殖和减少炎症。
• Non-nucleotide composition and method for inhibiting platelet aggregation
  申请人：Plourde, Robert

  公开号：US20050267134A1

  公开（公告）日：2005-12-01

  This invention is directed to a method of preventing or treating diseases or conditions associated with platelet aggregation. The method is also directed to a method of treating thrombosis or related disorders. The method comprises administering to a subject a pharmaceutical composition comprising an effective amount of a non-nucleotide compound, preferably a P2Y 12 receptor antagonist compound, wherein said amount is effective to inhibit platelet aggregation, preferably in a reversible manner. The compounds useful for this invention include compounds of general Formulae I and III-XII, or salts, hydrates, and solvates thereof. The present invention also provides novel compounds of Formulae I and III-XII.

  本发明涉及一种预防或治疗与血小板聚集有关的疾病或病症的方法。该方法还涉及一种治疗血栓形成或相关疾病的方法。该方法包括向受试者投与一种药物组合物，该组合物包括一种非核苷酸化合物的有效量，优选为P2Y12受体拮抗剂化合物，其中所述的量能够有效地抑制血小板聚集，优选以可逆方式进行。本发明所用的化合物包括一般式I和III-XII的化合物，或其盐、水合物和溶剂化物。本发明还提供了新的一般式I和III-XII的化合物。
• Non-nucleotide compositions and method for treating pain
  申请人：Plourde Robert

  公开号：US20070123544A1

  公开（公告）日：2007-05-31

  The present invention is directed to a method of treating pain. The method comprises administering to a subject a pharmaceutical composition comprising an effective amount of a P2X receptor antagonist. The methods of the present invention are useful in reducing pain, such as traumatic pain, neuropathic pain, organ pain and/or pain associated with diseases. The P2X receptor antagonists useful for this invention are non-nucleotide compounds of general Formula I. Compounds of Formula I can be used alone to treat pain. Compounds of Formula I can also be used in conjunction with other therapeutic agents or adjunctive therapies commonly used to treat pain, thus enhancing the therapeutic effect of pain reduction.

  本发明涉及一种治疗疼痛的方法。该方法包括向受试者施用含有有效量P2X受体拮抗剂的药物组合物。本发明的方法有助于减轻疼痛，例如创伤性疼痛、神经病理性疼痛、器官疼痛和/或与疾病相关的疼痛。本发明中有用于治疗疼痛的P2X受体拮抗剂是通式I的非核苷化合物。通式I的化合物可单独用于治疗疼痛。通式I的化合物也可与其他治疗剂或通常用于治疗疼痛的辅助疗法结合使用，从而增强减轻疼痛的治疗效果。
• NON-NUCLEOTIDE COMPOSITION AND METHOD FOR INHIBITING PLATELET AGGREGATION
  申请人：Plourde Robert

  公开号：US20080103304A1

  公开（公告）日：2008-05-01

  This invention is directed to a method of preventing or treating diseases or conditions associated with platelet aggregation. The method is also directed to a method of treating thrombosis or related disorders. The method comprises administering to a subject a pharmaceutical composition comprising an effective amount of a non-nucleotide compound, preferably a P2Y 12 receptor antagonist compound, wherein said amount is effective to inhibit platelet aggregation. The compounds useful for this invention include compounds of general Formulae I and III-XII, or salts, hydrates, and solvates thereof. The present invention also provides novel compounds of Formulae I and III-XII.

  本发明涉及一种预防或治疗与血小板聚集有关的疾病或状况的方法。该方法还涉及一种治疗血栓形成或相关疾病的方法。该方法包括向受试者施用一种药物组合物，该组合物包括一种有效量的非核苷酸化合物，优选为P2Y12受体拮抗剂化合物，其中所述量足以抑制血小板聚集。本发明所用于此目的的化合物包括一般式I和III-XII的化合物，或其盐，水合物和溶剂化物。本发明还提供了一些新的一般式I和III-XII的化合物。
• Non-nucleotide compositions and method for inhibiting platelet aggregation
  申请人：Inspire Pharmaceuticals, Inc.

  公开号：US07368438B2

  公开（公告）日：2008-05-06

  This invention is directed to a method of preventing or treating diseases or conditions associated with platelet aggregation. The method is also directed to a method of treating thrombosis or related disorders. The method comprises administering to a subject a pharmaceutical composition comprising an effective amount of a non-nucleotide compound, preferably a P2Y12 receptor antagonist compound, wherein said amount is effective to inhibit platelet aggregation. The compounds useful for this invention include compounds of general Formula I and III-XI, or salts, hydrates, and solvates thereof. The present invention also provides novel compounds according to Formula I and III-XI.

  本发明涉及一种预防或治疗与血小板聚集有关的疾病或病症的方法。该方法还涉及一种治疗血栓形成或相关疾病的方法。该方法包括向受试者施用含有效量的非核苷酸化合物的药物组合物，优选为P2Y12受体拮抗剂化合物，其中所述量足以抑制血小板聚集。本发明所用的化合物包括I和III-XI式的化合物，或其盐、水合物和溶剂化物。本发明还提供了按照I和III-XI式的新型化合物。