9,9-Dimethylxanthen-2,4,5,7-tetracarbonsaeurechlorid | 165465-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9,9-Dimethylxanthen-2,4,5,7-tetracarbonsaeurechlorid
• 英文别名: 9,9-dimethylxanthene-2,4,5,7-tetracarboxylic acid chloride；9,9-Dimethylxanthene-2,4,5,7-tetracarbonyl chloride
• CAS: 165465-27-0
• 化学式: C₁₉H₁₀Cl₄O₅
• 分子量: 460.097
• InChiKey: AHSRJAMHAMRNAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙醇 、 9,9-Dimethylxanthen-2,4,5,7-tetracarbonsaeurechlorid 在 叠氮基三甲基硅烷 作用下， 生成 (4,5,7-Tris-ethoxycarbonylamino-9,9-dimethyl-9H-xanthen-2-yl)-carbamic acid ethyl ester
  参考文献：
  名称：

  Solution-phase generation of tetraurea libraries

  摘要：

  Libraries of tetraureas tethered to a rigid core have been assembled. This simple, solution-phase methodology generates a defined, anticipated distribution of compounds. These conclusions are supported by synthesizing pure (homo) tetraurea xanthenes and by HPLC analysis of small 'microlibraries'. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0968-0896(96)00059-4
• 作为产物：
  描述：

  9,9-dimethylxanthene-2,4,5,7-tetracarboxylic acid 在 草酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 9,9-Dimethylxanthen-2,4,5,7-tetracarbonsaeurechlorid
  参考文献：
  名称：

  Solution-phase generation of tetraurea libraries

  摘要：

  Libraries of tetraureas tethered to a rigid core have been assembled. This simple, solution-phase methodology generates a defined, anticipated distribution of compounds. These conclusions are supported by synthesizing pure (homo) tetraurea xanthenes and by HPLC analysis of small 'microlibraries'. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0968-0896(96)00059-4

文献信息

• Method for identifying a member of a mass-coded combinatorial library
  申请人：Neogenesis, Inc.

  公开号：EP2241541A1

  公开（公告）日：2010-10-20

  The present invention relates to a method for identifying a member of a mass-coded molecular library which is a ligand for a biomolecule and binds to the biomolecule at the binding site of a known second ligand for the biomolecule, said mass-coded molecular library comprising compounds of the general formula XYn, wherein n is an. integer from 2 to about 6, X is a scaffold and each Y is, independently, a peripheral moiety, wherein said mass-coded molecular library is produced by reacting a scaffold precursor with a sufficient number of distinct peripheral moiety precursors such that there exist at least about 250 distinct combinations of n peripheral moieties derived from said peripheral moiety precursors.

  本发明涉及一种鉴定质量编码分子库成员的方法，所述质量编码分子库是生物大分子的配体，并在生物大分子的已知第二配体的结合位点与生物大分子结合，所述质量编码分子库包括通式XYn的化合物，其中n是2至约6的整数，X是支架，每个Y独立地是外围分子。2至约6的整数，X是支架，每个Y独立地是外周分子，其中所述质量编码分子库是通过将支架前体与足够数量的不同外周分子前体反应而产生的，从而存在至少约250种不同的由所述外周分子前体衍生的n个外周分子的组合。
• Apparatus for producing mass-coded combinatorial libraries
  申请人：Neogenesis, Inc.

  公开号：EP2241542A1

  公开（公告）日：2010-10-20

  The present invention relates to an apparatus for producing a mass-coded set of compounds of the general formula X(Y)n, wherein X is a scaffold, n is from 2 to about 6, and each Y is, independently, a peripheral moiety, comprising a digital processor assembly for selecting a peripheral moiety precursor subset from a peripheral moiety precursor set, said subset comprising a sufficient number of peripheral moiety precursors that there exist at least about 250 distinct combinations of n peripheral moieties derived from said subset, wherein at least about 90% of said combinations of n peripheral moieties derived from said subset have molecular mass sums which are distinct from the molecular mass sums of all other combinations of n peripheral moieties derived from said subset.

  本发明涉及一种生产通式X(Y)n的一组质量编码化合物的装置，其中X为支架，n为2至约6，每个Y独立地为外围分子，该装置包括一个数字处理器组件，用于从外围分子前体集中选择一个外围分子前体子集、所述子集包括足够数量的外围分子前体，至少存在约 250 种不同的由所述子集衍生的 n 个外围分子的组合，其中至少约 90% 的由所述子集衍生的 n 个外围分子的组合的分子质量总和不同于由所述子集衍生的 n 个外围分子的所有其他组合的分子质量总和。
• Combined resin method for high-speed synthesis of combinatorial libraries
  申请人：——

  公开号：US20020019013A1

  公开（公告）日：2002-02-14

  A method for high-speed parallel synthesis of combinatorial libraries is disclosed where two or more resins of dissimilar functionality are combined in the same reaction vessel in which a plurality of chemical reactions are carried out to create multiple compounds which are then sequentially and individually cleaved from the different resins under the appropriate cleavage conditions for each resin. As used herein resins are considered different when they exhibit different chemical activity in the presence of cleaving or releasing agents. The resins are different when the individual resins have either dissimilar polymeric backbones or dissimilar linkers or both and thus have a different chemical activity in the presence of a release or cleaving agent from the other resins in the reaction vessel.

  本发明公开了一种高速并行合成组合库的方法，在该方法中，两种或两种以上功能性不同的树脂在同一反应容器中结合，在容器中进行多个化学反应，生成多种化合物，然后根据每种树脂的适当裂解条件，从不同树脂中依次单独裂解出化合物。在此，当树脂在裂解剂或释放剂的作用下表现出不同的化学活性时，就可以认为树脂是不同的。当单个树脂具有不同的聚合物骨架或不同的连接体或两者兼而有之，从而在反应容器中其他树脂的释放剂或裂解剂作用下具有不同的化学活性时，这些树脂就是不同的。
• Glycoluril core molecules for combinatorial libraries
  申请人：Rebek Julius

  公开号：US20050250830A1

  公开（公告）日：2005-11-10

  The present invention provides novel glycoluril derivatives for use as core molecules in combinatorial chemistry. Core molecules of the present invention can contain from one to six building blocks. Preferred building blocks are substituted amine radicals. Combinatorial libraries containing such core molecules are also provided.

  本发明提供了可用作组合化学核心分子的新型甘氨酰脲衍生物。本发明的核心分子可包含一至六个结构单元。优选的结构单元是取代的胺基。本发明还提供了含有此类核心分子的组合库。
• Carell, Thomas; Wintner, Edward A.; Bashir-Hashemi, A., Angewandte Chemie, 1994, vol. 106, # 20, p. 2159 - 2162
  作者：Carell, Thomas、Wintner, Edward A.、Bashir-Hashemi, A.、Rebek, Julius

  DOI：——

  日期：——