variolin D

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: variolin D
• 英文别名: Methyl 13-amino-6-oxo-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),4,8,10,12-pentaene-8-carboxylate
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: QUKHTBITMVKWCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  98.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  variolin A 在 manganese(IV) oxide 作用下， 以 甲醇 为溶剂， 以20%的产率得到variolin D
  参考文献：
  名称：

  Alkaloids from the antarctic sponge Kirkpatrickia varialosa.

  摘要：

  Variolin B (1), a new type of pyridopyrrolopyrimidine alkaloid with antitumour and antiviral properties, has been isolated from the Antarctic sponge Kirkpatrickia varialosa, and its structure determined by X-ray crystallography. A degradation product, variolin D (2), has been identified from its spectroscopic data.

  DOI：

  10.1016/s0040-4020(01)89673-3

文献信息

• Derivatives of Variolin B
  申请人：Alvarez Mercedes

  公开号：US20080033001A1

  公开（公告）日：2008-02-07

  The invention provides antitumour compounds of formula (I), wherein R 1 is an aromatic substituent; R 2 is hydrogen or a substituent when the dotted line is absent, or R 2 is absent when the dotted line represents a bond to give a double bond between the nitrogen which bears R 2 and the carbon which bears R 3 ; R 3 is an oxo group =0 when the dotted line is absent or is a substituent when the dotted line represents a bond to give a double bond between the nitrogen bearing R 2 and the carbon bearing R 3 ; R 4 is hydrogen or a substituent; and pharmaceutically acceptable salts thereof.

  本发明提供了式（I）的抗肿瘤化合物，其中R1是芳香基取代基；R2是氢或取代基，当虚线不存在时，或者R2不存在，当虚线代表连接在携带R2的氮原子和携带R3的碳原子之间形成双键时；R3是氧代基=0，当虚线不存在时，或者是取代基，当虚线代表连接在携带R2的氮原子和携带R3的碳原子之间形成双键时；R4是氢或取代基；以及其药学上可接受的盐。
• DERIVATIVES OF VARIOLIN B
  申请人：PHARMA MAR, S.A.

  公开号：EP1307454B1

  公开（公告）日：2009-06-03
• VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS
  申请人：Remuinan Modesto

  公开号：US20090197901A1

  公开（公告）日：2009-08-06

  Variolin derivatives of formula (5) are provided, wherein the substituent groups defined by X 2 , R 1 , R 2 , R 3 , R 6 , R 7 , and R 12 are each independently selected from the group consisting of H, OH, OR′, SH, SR′, SOR′, SO 2 R′, NO 2 , NH 2 , NHR′, N(R′) 2 , NHCOR′, NHSO 2 R′, CN, halogen, ═O, C(═O)H, C(═O)R′, CO 2 H, CO 2 R′, carboxyalkyl, C 1 -C 12 alkyl, C 2 -C 12 alkenyl, C 2 -C 12 alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted aralkyl and substituted or unsubstituted heteroaromatic; wherein each of the R′ groups is independently selected from the group consisting of H, OH, SH, NO 2 , NH 2 , CN, halogen, ═O, C(═O)H, C(═O)CH 3 , CO 2 H, CO 2 CH 3 , C 1 -C 12 alkyl, C 2 -C 12 alkenyl, C 2 -C 12 alkynyl, aryl, aralkyl and heteroaromatic; wherein the pairs of groups of R 1 and R 2 , R 2 and R 3 , R 3 and R 12 , R 12 and R 6 , or R 6 and R 7 may be joined into a carbocyclic or heterocyclic ring system.
• US7320981B2
  申请人：——

  公开号：US7320981B2

  公开（公告）日：2008-01-22
• US7329666B2
  申请人：——

  公开号：US7329666B2

  公开（公告）日：2008-02-12