2-(Methylthio)hypoxanthin | 5446-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-(Methylthio)hypoxanthin
• 英文别名: 2-methylsulfanyl-1,7(9)-dihydro-purin-6-one；2-methylsulfanyl-1,7-dihydro-purin-6-one；2-Methylmercapto-1,7-dihydro-purin-6-on；2-methylmercaptoxanthine；2-(Methylthio)-9H-purin-6-ol；2-methylsulfanyl-1,7-dihydropurin-6-one
• CAS: 5446-89-9
• 化学式: C₆H₆N₄OS
• 分子量: 182.206
• InChiKey: OTLARBCFYJPBDK-UHFFFAOYSA-N

物化性质

• 熔点：
  235 °C
• 密度：
  1.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  95.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Methylthio)hypoxanthin 在 吡啶 、 甲醇 、 tetraphosphorus decasulfide 作用下， 生成 2-methylamino-1,7-dihydro-purine-6-thione
  参考文献：
  名称：

  Studies on Condensed Pyrimidine Systems. XIII. Some Amino-substituted Derivatives of Guanine and 6-Thioguanine

  摘要：

  DOI：

  10.1021/ja01582a060
• 作为产物：
  描述：

  5,6-diamino-2-(methylthio)pyrimidin-4(3H)-one 在 偶氮二甲酸二乙酯 作用下， 以 1,4-二氧六环 为溶剂， 反应 9.0h， 生成 2-(Methylthio)hypoxanthin
  参考文献：
  名称：

  Nagamatsu, Tomohisa; Yamasaki, Hiroo, Heterocycles, 1992, vol. 33, # 2, p. 775 - 790

  摘要：

  DOI：

文献信息

• Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives
  申请人：Szucova Lucie

  公开号：US20120071433A1

  公开（公告）日：2012-03-22

  The invention relates to 2-substituted-6-(substituted benzylamino)purine riboside derivatives of the general formula I. These compounds possess antiapoptotic, anti-inflammatory and differentiating activities. The invention relates also to the compositions, which contain these derivatives as active ingredients.

  该发明涉及一般式I的2-取代-6-(取代苯基氨基)嘌呤核苷衍生物。这些化合物具有抗凋亡、抗炎和分化活性。该发明还涉及包含这些衍生物作为活性成分的组合物。
• [EN] SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES<br/>[FR] DÉRIVÉS DE RIBOSIDE DE 6-BENZYLAMINOPURINE SUBSTITUÉE, LEURS UTILISATIONS ET COMPOSITIONS CONTENANT CES DÉRIVÉS
  申请人：UNIVERZITA PALACKEHO V OLOMOUC

  公开号：WO2010130233A1

  公开（公告）日：2010-11-18

  The invention relates to 2-substituted-6-(substituted benzylamino)purine riboside derivatives of the general formula I. These compounds possess antiapoptotic, anti-inflammatory and differentiating activities. The invention relates also to the compositions, which contain these derivatives as active ingredients. ˙

  该发明涉及一般式I的2-取代-6-(取代苄胺基)嘌呤核苷衍生物。这些化合物具有抗凋亡、抗炎和分化活性。该发明还涉及含有这些衍生物作为活性成分的组合物。
• A Novel Ionic Liquid Based on Imidazolium Cation as an Efficient and Reusable Catalyst for the One-pot Synthesis of Benzoxazoles, Benzthiazoles, Benzimidazoles and 2-Arylsubstituted Benzimidazoles
  作者：Maede Hasanpour、Hossein Eshghi、Mehdi Bakavoli、Mahdi Mirzaeia

  DOI：10.1002/jccs.201400372

  日期：2015.5

  A novel dicationic ionic liquid based on imidazolium cation is designed, synthesized and successfully used as catalyst for the one‐pot synthesis of benzoxazoles, benzthiazoles, benzimidazoles and 2‐arylsubstituted benzimidazoles. The remarkable feature of this new catalyst is its ethyleneoxy bridge which participates in dissolving organic compound in ionic liquid. The application of this ionic liquid

  设计，合成了一种基于咪唑阳离子的新型离子型离子液体，并成功用作一锅合成苯并恶唑，苯并噻唑，苯并咪唑和2-芳基取代的苯并咪唑的催化剂。这种新催化剂的显着特点是它的亚乙基氧基桥参与了将有机化合物溶解在离子液体中。在一种新的单锅法中研究了这种离子液体的应用，该方法可在无溶剂条件下合成杂环化合物。该方法的优点是操作简便，转化率高，催化剂的可重复使用性，纯化简便，反应时间短。
• [EN] SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS<br/>[FR] DÉRIVÉS 6-ANILINO-9-HÉTÉROCYCLYLPURINE SUBSTITUÉS POUR L'INHIBITION DU STRESS DES VÉGÉTAUX
  申请人：UNIV PALACKEHO

  公开号：WO2016095881A1

  公开（公告）日：2016-06-23

  The invention relates to substituted 6-anilino-9-heterocyclylpurine derivatives of formula (I) wherein R denotes one to five substituents independently selected from the group comprising hydrogen, halogen, hydroxy, amino, alkyloxy and alkyl group, R2 is selected from the group comprising amino, halogen, hydroxy, thio, and alkylthio group, Cyc is five- or six-membered heterocyclic ring containing one oxygen atom. Said derivatives are useful for inhibition of plant stress.

  该发明涉及式（I）的取代6-苯胺基-9-杂环基嘌呤衍生物，其中R代表从氢、卤素、羟基、氨基、烷氧基和烷基组成的群体中独立选择的一个至五个取代基，R2从氨基、卤素、羟基、硫、和烷硫基组成的群体中选择，Cyc是含有一个氧原子的五元或六元杂环环。所述衍生物对于抑制植物胁迫具有用处。
• SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES
  申请人：Spichal Lukas

  公开号：US20100190806A1

  公开（公告）日：2010-07-29

  The invention relates to substituted 6-anilinopurine derivatives of the general formula I, wherein R denotes one to five substituents independently selected from the group consisting of hydrogen, halogen, hydroxyl, amino, alkyloxy and alkyl group, and R2 denotes amino, halogen, nitro, thio, alkylthio or alkyl group for use as inhibitors of cytokinin oxidase/dehydrogenase. The invention also relates to the compositions containing these derivatives.

  该发明涉及一般式I的取代6-苯胺嘧啶衍生物，其中R表示从氢、卤素、羟基、氨基、烷氧基和烷基组成的群体中独立选择的一个至五个取代基，R2表示氨基、卤素、硝基、硫代基、烷硫基或烷基，用作细胞分裂素氧化酶/脱氢酶的抑制剂。该发明还涉及含有这些衍生物的组合物。