6-氨基-1,3-二-2-丙烯-1-基-2,4(1H,3H)-嘧啶二酮 | 4852-19-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 6-氨基-1,3-二-2-丙烯-1-基-2,4(1H,3H)-嘧啶二酮
• 英文名称: 1,3-diallyl-6-aminouracil
• 英文别名: 1,3-diallyl-6-amino-1H-pyrimidine-2,4-dione；1,3-Diallyl-6-amino-1H-pyrimidin-2,4-dion；1,3-Diallyl-6-aminouracil monohydrate；6-amino-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
• CAS: 4852-19-1
• 化学式: C₁₀H₁₃N₃O₂
• 分子量: 207.232
• InChiKey: FWOKREPUUOLKNQ-UHFFFAOYSA-N

物化性质

• 熔点：
  116-118 °C(Solv: water (7732-18-5))
• 沸点：
  308.9±52.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氨基-1,3-二-2-丙烯-1-基-2,4(1H,3H)-嘧啶二酮 在 盐酸 、 溶剂黄146 作用下， 以 甲醇 、 氯仿 、 水 、 乙酸乙酯 为溶剂， 生成 1,3-二烯丙基-5,6-二氨基尿苷盐酸
  参考文献：
  名称：

  8-substituted xanthines as selective adenosine receptor agents

  摘要：

  具有一般结构（I）的黄嘌呤衍生物，包括（R）和（S）对映体及其外消旋混合物，以及其药用盐，其中R.sub.1和R.sub.2分别独立地为（C.sub.1-C.sub.4）低碳基或（C.sub.2-C.sub.4）低碳烯基，Z为（II）或（III）或（IV），其中R.sub.3为氢，（C.sub.1-C.sub.3）低碳基，硝基，氨基，羟基，氟，溴或氯，R.sub.4为（C.sub.1-C.sub.4）低碳基，n为1或2，这些衍生物在腺苷受体上具有选择性作用，并且在一般上作为腺苷拮抗剂被揭示。从体外研究中已知，由于这种选择性，可以区分特定的生理效应，并且体外腺苷受体活性与体内腺苷受体活性相关。基于本文披露的化合物的选择性结合活性，可以制备所述化合物的药物制剂，这将增强某些生理效应，同时最小化其他效应，例如降低血压而不降低心率。

  公开号：

  US05734052A1

文献信息

• Xanthine derivatives as adenosine A1 receptor antagonists
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US05840729A1

  公开（公告）日：1998-11-24

  A method of attenuating a cognitive deficit in a patient in need thereof comprising administering to the patient a xanthine derivative.

  一种减轻患者认知缺陷的方法，包括向患者施用黄嘌呤衍生物。
• Selective adenosine receptor agents
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05047534A1

  公开（公告）日：1991-09-10

  Xanthine derivative which act selectively at adenosine receptors and which act in general as adenosine antagonists are disclosed. From in vitro studies it is known that specific physiological effects can be distinguished as a result of this selectively and that adenosine receptor activity in vitro correlates with adenosine receptor activity in vivo. Pharmaceutical preparations of the subject compounds can be prepared on the basis of the selective binding activity of the compounds disclosed herein which will enhance certain physiological effects while minimizing others, such as decreasing blood pressure without decreasing heart rate.

  本发明揭示了在腺苷受体上选择性作用的黄嘌呤衍生物，通常作为腺苷拮抗剂。从体外研究中已知，由于这种选择性，可以区分特定的生理效应，并且体外的腺苷受体活性与体内的腺苷受体活性相关。根据本文披露的化合物的选择性结合活性，可以制备这些化合物的药物制剂，这将增强某些生理效应，同时最小化其他效应，例如降低血压而不降低心率。
• 8-substituted xanthines as selective adenosine receptor agents
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US05734052A1

  公开（公告）日：1998-03-31

  Xanthine derivatives having general structure (I) including the (R) and (S) enantiomers and racemic mixtures thereof, and the pharmaceutically acceptable salts thereof, wherein R.sub.1 and R.sub.2 are each independently (C.sub.1 -C.sub.4)lower alkyl or (C.sub.2 -C.sub.4)lower alkenyl, Z is (II) or (III) or (IV) wherein R.sub.3 is hydrogen, (C.sub.1 -C.sub.3)lower alkyl, nitro, amino, hydroxy, fluoro, bromo or chloro, R.sub.4 is (C.sub.1 -C.sub.4)lower alkyl and n is 1 or 2 which act selectively at adenosine receptors and which act in general as adenosine antagonists are disclosed. From in vitro studies it is known that specific physiological effects can be distinguished as a result of this selectivity and that adenosine receptor activity in vitro correlates with adenosine receptor activity in vivo. Pharmaceutical preparations of the subject compounds can be prepared on the basis of the selective binding activity of the compounds disclosed herein which will enhance certain physiological effects while minimizing others, such as descreasing blood pressure without descreasing heart rate.

  具有一般结构（I）的黄嘌呤衍生物，包括（R）和（S）对映体及其外消旋混合物，以及其药用盐，其中R.sub.1和R.sub.2分别独立地为（C.sub.1-C.sub.4）低碳基或（C.sub.2-C.sub.4）低碳烯基，Z为（II）或（III）或（IV），其中R.sub.3为氢，（C.sub.1-C.sub.3）低碳基，硝基，氨基，羟基，氟，溴或氯，R.sub.4为（C.sub.1-C.sub.4）低碳基，n为1或2，这些衍生物在腺苷受体上具有选择性作用，并且在一般上作为腺苷拮抗剂被揭示。从体外研究中已知，由于这种选择性，可以区分特定的生理效应，并且体外腺苷受体活性与体内腺苷受体活性相关。基于本文披露的化合物的选择性结合活性，可以制备所述化合物的药物制剂，这将增强某些生理效应，同时最小化其他效应，例如降低血压而不降低心率。
• STABILIZER SYSTEM FOR HALOGENATED POLYMERS
  申请人：Dave Trupti

  公开号：US20110129628A1

  公开（公告）日：2011-06-02

  The present invention relates to a stabilizer system for halogenated polymers comprising, as component (A), calcium monocarbonatohydroxodialuminate of the formula (A) Ca m Al 2 (OH) 6+2(m−1) CO 3* n H 2 O  (A), where m=from 3.8 to 4.2, and n=from 0 to 3, and, as component (B), a catena-2,2′,2″-nitrilotrisethanolperchloratolithium or -sodium coordination polymer (B1) with a monomer unit of the formula where Mt=Li or Na, An=OClO 3 and q=1, and/or a quaternary or ternary ammonium or phosphonium perchlorate (B2). The present invention further relates to compositions and articles comprising these stabilizer systems, and to the use of the systems and compositions.

  本发明涉及一种用于卤代聚合物的稳定剂系统，包括组分（A）为化学式（A）CamAl2（OH）6+2（m-1）CO3*nH2O的碳酸氢羟基二铝酸钙，其中m=3.8至4.2，n=0至3，以及组分（B）为具有单体单位的链式2,2′,2″-亚硝基三乙醇钯或-钠配合物（B1）的配氯酸盐聚合物，其化学式为Mt=Li或Na，An=OClO3，q=1，和/或四元或三元铵或磷酸铵高氯酸盐（B2）。本发明还涉及包含这些稳定剂系统的组合物和制品，以及这些系统和组合物的使用。
• ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS
  申请人：Kumar Sukeerthi

  公开号：US20120010223A1

  公开（公告）日：2012-01-12

  The present invention is related to novel isothiazolo[3,4-d]pyrimidinedione and isothiazolo[5,4-d]pyrimidinedione derivatives as TRPA (Transient Receptor Potential subfamily A) modulators. In particular, compounds described herein are useful for treating or preventing diseases, conditions and/or disorders modulated by TRPA1 (Transient Receptor Potential subfamily A, member 1). Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders modulated by TRPA1.

  本发明涉及新型异噻唑并[3,4-d]嘧啶二酮和异噻唑并[5,4-d]嘧啶二酮衍生物作为TRPA（瞬时受体电位A亚家族）调节剂。特别地，本文所描述的化合物可用于治疗或预防由TRPA1（瞬时受体电位A亚家族，成员1）调节的疾病、状况和/或障碍。本文还提供了用于制备所述化合物的过程、用于合成的中间体、其制药组合物以及治疗或预防由TRPA1调节的疾病、状况和/或障碍的方法。

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