Tributyl(3-methylbuta-1,3-dien-1-YL)stannane | 133621-96-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 英文名称: Tributyl(3-methylbuta-1,3-dien-1-YL)stannane
• 英文别名: tributyl(3-methylbuta-1,3-dienyl)stannane
• CAS: 133621-96-2
• 化学式: C₁₇H₃₄Sn
• 分子量: 357.167
• InChiKey: GFNXQMCZIIYFBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.51
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Tributyl(3-methylbuta-1,3-dien-1-YL)stannane 在 4-二甲氨基吡啶 、 copper(l) iodide 、 三苯胂 、 四丁基氟化铵 、 palladium diacetate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 生成
  参考文献：
  名称：

  （+）-Dimericbiscognienyne A：关键异二聚的全合成和机理研究

  摘要：

  描述了（+）-二聚双cognienyne A的第一个全合成。成功获得（+）-二聚双香豆素A的关键是两个不同的环氧醌类单体之间的生物合成激发的Diels-Alder反应以及随后的分子内半缩醛形成。通过DFT计算和实验控制研究，研究了后期[4 + 2]环加成反应中其他可能的非对映异构体中天然产物的选择性形成。

  DOI：

  10.1021/acs.orglett.8b03025
• 作为产物：
  描述：

  三丁基氯化锡 、 2-甲基-1-丁烯-3-炔 在 Schwartz's reagent 、 sodium tetrahydroborate 作用下， 以 甲苯 、 甲醇 为溶剂， 反应 10.0h， 以65%的产率得到Tributyl(3-methylbuta-1,3-dien-1-YL)stannane
  参考文献：
  名称：

  （+）-Dimericbiscognienyne A：关键异二聚的全合成和机理研究

  摘要：

  描述了（+）-二聚双cognienyne A的第一个全合成。成功获得（+）-二聚双香豆素A的关键是两个不同的环氧醌类单体之间的生物合成激发的Diels-Alder反应以及随后的分子内半缩醛形成。通过DFT计算和实验控制研究，研究了后期[4 + 2]环加成反应中其他可能的非对映异构体中天然产物的选择性形成。

  DOI：

  10.1021/acs.orglett.8b03025

文献信息

• Benzothiazoles
  申请人：——

  公开号：US20030144288A1

  公开（公告）日：2003-07-31

  The present invention relates to compounds of the formula 1 wherein R1 and R2 are as described within. The compounds of formula I have been found to be adenosine receptor ligands. Specifically, the compounds of the present invention have a good affinity to the A 2A -receptor and they may be used in the treatment of diseases, related to this receptor.

  本发明涉及公式1中的化合物，其中R1和R2如所述。发现公式I的化合物是腺苷受体配体。具体地，本发明的化合物对A2A受体具有良好的亲和力，可以用于治疗与该受体有关的疾病。
• 一种吲哚生物碱Luteoride A的首次全合成工艺
  申请人：大理大学

  公开号：CN114890932A

  公开（公告）日：2022-08-12

  本发明公开了及Luteoride A合成术领域的一种吲哚生物碱LuteorideA的首次全合成工艺，吲哚7位引入异戊二烯基团，不仅避免了毒性试剂(三甲基硅烷化重氮甲烷、氰化亚铜、2‑甲基‑1‑丁烯‑3‑炔等)、高度易燃试剂(正丁基锂、三正丁基氢锡等)以及昂贵试剂(三甲基硅烷化重氮甲烷、儿萘酚硼烷、2‑甲基‑1‑丁烯‑3‑炔等)的使用，而且还使用无保护基操作，具有氧化还原经济性以及原子经济性；并且实现了吲哚生物碱luteorideA的首次全合成。
• Total Synthesis and Biological Studies of TMC-205 and Analogues as Anticancer Agents and Activators of SV40 Promoter
  作者：Yang Gao、Sami Osman、Kazunori Koide

  DOI：10.1021/ml500025p

  日期：2014.8.14

  TMC-205 is a natural fungal metabolite with antiproliferative activity against cancer cell lines. The light- and air-sensitivity prevented in-depth exploitation of this novel indole derivative. Herein, we report the first synthesis of TMC-205. On the basis of its reactivity with reactive oxygen species, we developed air-stable analogues of TMC-205. These analogues are 2-8-fold more cytotoxic than TMC-205 against HCT-116 colon cancer cell line. Importantly, at noncytotoxic dose levels, these analogues activated the transcription of luciferase reporter gene driven by simian virus 40 promoter (SV40). Further, these small molecules also inhibit firefly luciferase, presumably by direct interaction.
• Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores
  作者：Pravin L. Kotian、Raman Krishnan、Scott Rowland、Yahya El-Kattan、Surendra K. Saini、Ramanda Upshaw、Shanta Bantia、Shane Arnold、Y. Sudhakar Babu、Pooran Chand

  DOI：10.1016/j.bmc.2009.04.013

  日期：2009.6

  Factor VIIa (FVIIa), a serine protease enzyme, coupled with tissue factor (TF) plays an important role in a number of thrombosis-related disorders. Inhibition of TF.FVIIa occurs early in the coagulation cascade and might provide some safety advantages over other related enzymes. We report here a novel series of substituted biphenyl derivatives that are highly potent and selective TF.FVIIa inhibitors. Parallel synthesis coupled with structure-based drug design allowed us to explore the S2 pocket of the enzyme active site. A number of compounds with IC50 value of <10 nM were synthesized. The X-ray crystal structures of some of these compounds complexed with TF.FVIIa were determined and results were applied to design the next round of inhibitors. All the potent inhibitors were tested for inhibition against a panel of related enzymes and selectivity of 17,600 over thrombin, 450 over trypsin, 685 over FXa, and 76 over plasmin was achieved. Two groups, vinyl 36b and 2-furan 36ab, were identified as the optimum binding substituents on the phenyl ring in the S2 pocket. Compounds with these two substituents are the most potent compounds in this series with good selectivity over related serine proteases. These compounds will be further explored for structure-activity relationship. (C) 2009 Elsevier Ltd. All rights reserved.
• (+)-Dimericbiscognienyne A: Total Synthesis and Mechanistic Investigations of the Key Heterodimerization
  作者：Geon Kim、Myungjo J. Kim、Garam Chung、Hee-Yoon Lee、Sunkyu Han

  DOI：10.1021/acs.orglett.8b03025

  日期：2018.11.2

  The first total synthesis of (+)-dimericbiscognienyne A is described. Key to the successful access to (+)-dimericbiscognienyne A was a biosynthetically inspired Diels–Alder reaction between two differential epoxyquinoid monomers and the subsequent intramolecular hemiacetal formation. The selective formation of the natural product among other possible diastereomers during the late-stage [4+2] cycloaddition

  描述了（+）-二聚双cognienyne A的第一个全合成。成功获得（+）-二聚双香豆素A的关键是两个不同的环氧醌类单体之间的生物合成激发的Diels-Alder反应以及随后的分子内半缩醛形成。通过DFT计算和实验控制研究，研究了后期[4 + 2]环加成反应中其他可能的非对映异构体中天然产物的选择性形成。