8-methylthioguanine | 40769-45-7

• 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: 8-methylthioguanine
• 英文别名: 2-amino-8-(methylsulfanyl)-1,9-dihydro-6H-purin-6-one；2-amino-8-methylsulfanyl-1,7-dihydropurin-6-one
• CAS: 40769-45-7
• 化学式: C₆H₇N₅OS
• 分子量: 197.22
• InChiKey: DPQSMNLSYIBAAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 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：
  122
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-methylthioguanine 在 tetraphosphorus decasulfide 、 1,2,3,4-四氢萘 作用下， 生成 2-amino-7,9-dihydro-1H-purine-6,8-dithione
  参考文献：
  名称：

  Condensed Pyrimidine Systems. XX. Purines Related to 6-Mercaptopurine and Thioguanine

  摘要：

  DOI：

  10.1021/ja01517a030
• 作为产物：
  描述：

  8-methylthio-2'-deoxyguanosine 在 水 作用下， 生成 8-methylthioguanine
  参考文献：
  名称：

  Hydrolysis of 2′-deoxypurine nucleosides. The effect of substitution at the C-8 position

  摘要：

  The hydrolytic stability of 2'-deoxypurine nucleosides is decreased by introduction of electron-withdrawing substituents at the C-8 position in the series of compounds 2-8, 10-14. The sulfone group causes a 2.9 x 10(4) rate acceleration for glycosidic bond cleavage in compound 14.

  DOI：

  10.1016/s0040-4039(00)73300-4

文献信息

• Girshovich, M. Z.; Muravich-Aleksandr, Kh. L.; Ragozina, T.N., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, p. 2168 - 2171
  作者：Girshovich, M. Z.、Muravich-Aleksandr, Kh. L.、Ragozina, T.N.

  DOI：——

  日期：——
• NEW MODIFIED NUCLEIC ACID
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2915815B1

  公开（公告）日：2018-01-17
• GIRSHOVICH, M. Z.;MURAVICH-ALEKSANDR, X. L.;RAGOZINA, T. N., ZH. ORGAN. XIMII, 23,(1987) N 11, 2454-2458
  作者：GIRSHOVICH, M. Z.、MURAVICH-ALEKSANDR, X. L.、RAGOZINA, T. N.

  DOI：——

  日期：——
• COMPOSITIONS AND METHODS FOR INHIBITING REDOX-SENSITIVE GTPASES
  申请人：Heo Jongyun

  公开号：US20120171302A1

  公开（公告）日：2012-07-05

  The invention provides compositions for inhibiting a redox-sensitive GTPase protein, including a Rho or Rab family GTPase, comprising an effective amount of a redox-sensitive purine compound and an effective amount of a redox agent. The invention further provides methods of inhibiting a redox-sensitive GTPase protein, including a Rho or Rab family GTPase, by administering compositions of the invention. Methods of screening for compounds that inhibit a redox-sensitive GTPase protein, including compounds that target and inhibit Rho or Rab family GTPases, are further provided.
• Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain
  申请人：Blagg Julian

  公开号：US20120252791A1

  公开（公告）日：2012-10-04

  The present invention relates to the field of small molecule heterocyclic inhibitors of GTP cyclohydrolase (GCH-I), or a tautomer, prodrug, or pharmaceutically acceptable salt thereof. The invention also features pharmaceutical compositions of the compounds and the medical use of these compounds for the treatment or prevention of pain (e.g., inflammatory pain, nociceptive pain, functional pain, or neuropathic pain).