1-thiaspiro<2.5>octane | 185-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫杂环丙烷
• 英文名称: 1-thiaspiro<2.5>octane
• 英文别名: 1-thia-spiro[2.5]octane；1-Thia-spiro[2.5]octan；1-thiaspiro[2.5]octane；Cyclohexanspirothiiran
• CAS: 185-78-4
• 化学式: C₇H₁₂S
• 分子量: 128.238
• InChiKey: FGDWTXGHCTZSMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  30 °C(Press: 0.6 Torr)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-thiaspiro<2.5>octane 在 水 作用下， 生成 bis-(1-hydroxymethyl-cyclohexyl)-sulfide
  参考文献：
  名称：

  Mousseron, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1943, vol. 216, p. 812

  摘要：

  DOI：
• 作为产物：
  描述：

  亚甲基环己烷氧化物 在 水 、 potassium thioacyanate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以98%的产率得到1-thiaspiro<2.5>octane
  参考文献：
  名称：

  Bouda, H.; Borredon, M. E.; Delmas, M., Synthetic Communications, 1987, vol. 17, # 8, p. 943 - 952

  摘要：

  DOI：

文献信息

• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Carroll William A.

  公开号：US20080153883A1

  公开（公告）日：2008-06-26

  The present invention relates to thiazolidinylidene containing compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and X are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及含有式（I）中R1、R2、R3、R4、R5、R6和X所定义的噻唑烷亚甲基化合物，包括这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Hindered linking agents derived from 2-iminothiolanes and methods
  申请人：Xoma Corporation

  公开号：US05093475A1

  公开（公告）日：1992-03-03

  Novel compounds and methods for the formation of disulfide linkages are presented. The novel compounds employed are substituted 2-iminothiolane hydrohalide linking agents of the following formula (I): ##STR1## wherein, X is halogen; R.sub.1 is COOR.sub.5 ; halogen; nitro; unsubstituted or halogenated C.sub.1-8 alkyl; unsubstituted or halogenated C.sub.1-8 alkoxy; unsubstituted or halogenated C.sub.2-8 alkenyl; unsubstituted or halogenated C.sub.2-8 alkynyl; unsubstituted C.sub.3-8 cycloalkyl; unsubstituted aryl; aryl substituted with 1 to 3 substituents selected from halogen, amino, unsubstituted or halogenated C.sub.1-8 alkyl, or unsubstituted or halogenated C.sub.1-8 alkoxy; unsubstituted heterocycle; or heterocycle substituted with 1 to 3 substituents selected from amino, halogen, unsubstituted or halogenated C.sub.1-8 alkyl, or unsubstituted or halogenated C.sub.1-8 alkoxy; each of R.sub.2, R.sub.3 and R.sub.4 is independently hydrogen or selected from the values of R.sub.1 ; or R.sub.1 and R.sub.2 together form a C.sub.2-5 alkylene bridge, unsubstituted or substituted with one to five C.sub.1-4 alkyl groups; or R.sub.1 or R.sub.2 together with R.sub.3 form a C.sub.1-5 alkylene bridge, unsubstituted or substituted with one to five C.sub.1-4 alkyl groups; and R.sub.5 is hydrogen or C.sub.1-8 alkyl. Also included in the invention are methods for covalently linking two species, which methods comprise reacting one or both of the two species with a crosslinking agent of the above formula (I) and mixing the two species together. The resulting conjugated species containing the linking group are also included in the invention. Further included in the invention is the use of a quenching agent which allows direct measurement of the reaction of 2-iminothiolanes with nucleophilic groups.

  本发明提供了新型化合物和形成二硫键的方法。所采用的新型化合物是以下式(I)的取代2-亚硫酰胺烷氢卤素连接剂：##STR1## 其中，X是卤素；R.sub.1是COOR.sub.5；卤素；硝基；未取代或卤代的C.sub.1-8烷基；未取代或卤代的C.sub.1-8烷氧基；未取代或卤代的C.sub.2-8烯基；未取代或卤代的C.sub.2-8炔基；未取代的C.sub.3-8环烷基；未取代的芳基；芳基上选择1至3个取代基，所述取代基是卤素、氨基、未取代或卤代的C.sub.1-8烷基或未取代或卤代的C.sub.1-8烷氧基；未取代的杂环；或杂环上选择1至3个取代基，所述取代基是氨基、卤素、未取代或卤代的C.sub.1-8烷基或未取代或卤代的C.sub.1-8烷氧基；R.sub.2、R.sub.3和R.sub.4中的每一个独立地是氢或从R.sub.1的值中选择的值；或者R.sub.1和R.sub.2一起形成一个C.sub.2-5烷基桥，未取代或取代有1至5个C.sub.1-4烷基；或者R.sub.1或R.sub.2与R.sub.3一起形成一个C.sub.1-5烷基桥，未取代或取代有1至5个C.sub.1-4烷基；而R.sub.5是氢或C.sub.1-8烷基。本发明还包括将两个物种共价连接的方法，该方法包括将两个物种中的一个或两个与上述式(I)的交联剂反应并混合两个物种。所得到的含有连接基的共轭物种也包括在本发明中。本发明还包括使用抑制剂，该抑制剂允许直接测量2-亚硫酰胺烷与亲核基团的反应。
• Comprehensive analysis of pathway or functionally related gene expression in the National Cancer Institute's anticancer screen
  作者：Ruili Huang、Anders Wallqvist、David G. Covell

  DOI：10.1016/j.ygeno.2005.11.011

  日期：2006.3

  We have analyzed the level of gene coregulation, using gene expression patterns measured across the National Cancer Institute's 60 tumor cell panels (NCI60), in the context of predefined pathways or functional categories annotated by KEGG (Kyoto Encyclopedia of Genes and Genomes), BioCarta, and GO (Gene Ontology). Statistical methods were used to evaluate the level of gene expression coherence (coordinated expression) by comparing intra- and interpathway gene-gene correlations. Our results show that gene expression in pathways, or groups of functionally related genes, has a significantly higher level of coherence than that of a randomly selected set of genes. Transcriptional-level gene regulation appears to be on a "need to be" basis, such that pathways comprising genes encoding closely interacting proteins and pathways responsible for vital cellular processes or processes that are related to growth or proliferation, specifically in cancer cells, such as those engaged in genetic information processing, cell cycle, energy metabolism, and nucleotide metabolism, tend to be more modular (lower degree of gene sharing) and to have genes significantly more coherently expressed than most signaling and regular metabolic pathways. Hierarchical clustering of pathways based on their differential gene expression in the NCI60 further revealed interesting interpathway communications or interactions indicative of a higher level of pathway regulation. The knowledge of the nature of gene expression regulation and biological pathways can be applied to understanding the mechanism by which small drug molecules interfere with biological systems. (c) 2005 Elsevier Inc. All rights reserved.
• Mousseron et al., Bulletin de la Societe Chimique de France, 1948, p. 84,88
  作者：Mousseron et al.

  DOI：——

  日期：——
• Practical, Efficient Synthesis of β-Amino Tertiary Thiols via Aminolysis Ring-Opening of Thiiranes
  作者：Qing Dong

  DOI：10.1055/s-1999-3516

  日期：1999.7