1-bromohept-6-yn-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-bromohept-6-yn-2-one
• 化学式: C₇H₉BrO
• 分子量: 189.052
• InChiKey: SLVASQVSQAKKMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-bromohept-6-yn-2-one 在 三氟乙酸 作用下， 以 溶剂黄146 为溶剂， 生成 4-Pent-4-ynyl-[1,3]dithiole-2-thione
  参考文献：
  名称：

  New long-chain tetrathiafulvalene derivatives with a diacetylene group

  摘要：

  The multi-stage synthesis of new long-chain tetrathiafulvalene derivatives containing a diacetylene group at different distances from tetrathiafulvalene moiety - 2-(tetracosa-9, 11-diynyle)-, 2-heptadeca-9, 11-diynyle)- and 2-(nonadeca-4,6-diynyle)-6,7-tetrathiafulvalene is described.

  DOI：

  10.1016/s0040-4039(00)91591-0
• 作为产物：
  描述：

  己基-5-壬基氯 在 氢溴酸 作用下， 生成 1-bromohept-6-yn-2-one
  参考文献：
  名称：

  New long-chain tetrathiafulvalene derivatives with a diacetylene group

  摘要：

  The multi-stage synthesis of new long-chain tetrathiafulvalene derivatives containing a diacetylene group at different distances from tetrathiafulvalene moiety - 2-(tetracosa-9, 11-diynyle)-, 2-heptadeca-9, 11-diynyle)- and 2-(nonadeca-4,6-diynyle)-6,7-tetrathiafulvalene is described.

  DOI：

  10.1016/s0040-4039(00)91591-0

文献信息

• Synthesis and Antitumor Activity of a Novel Series of 6-Substituted Pyrrolo[2,3-<i>d</i>]pyrimidine Thienoyl Antifolate Inhibitors of Purine Biosynthesis with Selectivity for High Affinity Folate Receptors and the Proton-Coupled Folate Transporter over the Reduced Folate Carrier for Cellular Entry
  作者：Lei Wang、Christina Cherian、Sita Kugel Desmoulin、Lisa Polin、Yijun Deng、Jianmei Wu、Zhanjun Hou、Kathryn White、Juiwanna Kushner、Larry H. Matherly、Aleem Gangjee

  DOI：10.1021/jm9015729

  日期：2010.2.11

  ituted pyrrolo[2,3-d]pyrimidines with a thienoyl side chain and four to six carbon bridge lengths (compounds 1−3) were synthesized as substrates for folate receptors (FRs) and the proton-coupled folate transporter (PCFT). Conversion of acetylene carboxylic acids to α-bromomethylketones and condensation with 2,4-diamino-6-hydroxypyrimidine afforded the 6-substituted pyrrolo[2,3-d]pyrimidines. Sonogashira

  合成了具有噻吩酰基侧链和 4 到 6 个碳桥长度的2-氨基-4-氧代-6-取代的吡咯并[2,3- d ]嘧啶（化合物1 - 3）作为叶酸受体 (FR) 的底物和质子偶联叶酸转运蛋白 (PCFT)。乙炔羧酸转化为α-溴甲基酮并与2,4-二氨基-6-羟基嘧啶缩合得到6-取代的吡咯并[2,3- d ]嘧啶。薗头与（耦合小号）-2 - [（5-溴-噻吩-2-羰基） -氨基] -戊二酸二乙酯，随后氢化和皂化，得到1 - 3。化合物1和2有效抑制表达 FRα、减少叶酸载体 (RFC) 和 PCFT 的 KB 和 IGROV1 人类肿瘤细胞。类似物对 FR 和 PCFT 比 RFC 具有选择性。甘氨酰胺核糖核苷酸甲酰转移酶是主要的细胞靶标。在具有 KB 肿瘤的 SCID 小鼠中，1对早期（3.5 log 杀死，1/5 治愈）和晚期（3.7 log 杀死，4/5 完全缓解）阶段的肿瘤具有高度活性。我们的结果表明，由于
• Modulating the development of E. coli biofilms with 2-aminoimidazoles
  作者：Catherine S. Reed、Robert W. Huigens、Steven A. Rogers、Christian Melander

  DOI：10.1016/j.bmcl.2010.08.075

  日期：2010.11

  The synthesis of a 20 member 2-aminoimidazole/triazole pilot library is reported. Each member of the library was screened for its ability to inhibit or promote biofilm development of either Escherichia coli and Acinetobacter baumannii. From this screen, E. coli-selective 2-aminoimidazoles were discovered, with the best inhibitor inhibiting biofilm development with an IC(50) of 13 mu M. The most potent promoter of E. coli biofilm formation promoted biofilm development by 321% at 400 mu M. (C) 2010 Elsevier Ltd. All rights reserved.
• New long-chain tetrathiafulvalene derivatives with a diacetylene group
  作者：V.Yu. Khodorkovsky、G.V. Tormos、O.Ya. Neilands、N.V. Kolotilo、A.Ya. Il'chenko

  DOI：10.1016/s0040-4039(00)91591-0

  日期：1992.2

  The multi-stage synthesis of new long-chain tetrathiafulvalene derivatives containing a diacetylene group at different distances from tetrathiafulvalene moiety - 2-(tetracosa-9, 11-diynyle)-, 2-heptadeca-9, 11-diynyle)- and 2-(nonadeca-4,6-diynyle)-6,7-tetrathiafulvalene is described.