hept-3-yne-1,7-diol | 102547-94-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: hept-3-yne-1,7-diol
• 英文别名: Hept-3-in-1,7-diol
• CAS: 102547-94-4
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: UNNCFXYLNBBFGH-UHFFFAOYSA-N

物化性质

• 沸点：
  102-104 °C(Press: 0.05 Torr)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  hept-3-yne-1,7-diol 在 甲醇 、 镍 作用下， 生成 1,7-庚二醇
  参考文献：
  名称：

  310.脂质。第五部分。己二酸，高辛硬脂酸和两种带有烯丙基侧枝的脂肪族羟基酸的全合成

  摘要：

  DOI：

  10.1039/jr9570001622
• 作为产物：
  描述：

  2-(4-戊炔氧基)四氢-2H-吡喃 在 N,N-二甲基丙烯基脲 、 正丁基锂 、 4-甲基苯磺酸吡啶 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 hept-3-yne-1,7-diol
  参考文献：
  名称：

  Branched-chain and unsaturated 1,7-Diaminoheptane derivatives as deoxyhypusine synthase inhibitors

  摘要：

  Deoxyhypusine synthase catalyzes the first step in the posttranslational biosynthesis of the unusual amino acid hypusine [N-epsilon-(4-amino-2-hydroxybutyl)lysine] in eukaryotic translation initiation factor 5A (eIF-SA). eIF-SA and its single hypusine residue are essential for cell proliferation. Two series of 1,7-diaminoheptane derivatives were prepared and tested as inhibitors of human deoxyhypusine synthase. These include branched-chain saturated derivatives and both branched- and straight-chain unsaturated derivatives providing size and positional variation in branching and different torsional constraints. Of the branched-chain compounds, 7-amino-1-guanidinooctane (39) proved to be the most potent inhibitor in vitro (IC50, 34 nM), while 1,7-diamino-trans-hept-3-ene (20a) displayed the greatest inhibition (IC50, 0.7 mu M) among the unsaturated compounds. Compound 39 also provided effective inhibition of hypusine production in Chinese hamster ovary cells in culture. Considerations of the in vitro inhibition data reported here, along with earlier findings, allowed some speculation concerning the conformation of the substrate spermidine during its productive interaction at the active site of deoxyhypusine synthase. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)10030-x

文献信息

• Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound
  申请人：Hori Junichi

  公开号：US20080033221A1

  公开（公告）日：2008-02-07

  A hydrogenation promoter of the present invention is produced by reacting an alkyne compound or an alkene compound, a palladium compound represented by a general formula Pd(II)X j L k (where L represents a monodentate ligand or a polydendate ligand other than a phosphorus-containing ligand (when two or more Ls are present in the compound, the Ls may be the same or different), X represents an anionic group, j represents a value determined according to the valence of X so that X j has a valence of −2 as a whole, and k represents an integer in the range of 0 to 4), and a base in an organic solvent. Specifically, The hydrogenation promoter of the invention includes palladium nanoparticles containing the alkyne compound or the alkene compound as an agglomeration-preventing agent.

  本发明的氢化促进剂是通过在有机溶剂中反应炔烃化合物或烯烃化合物、由一般式Pd(II)XjLk表示的钯化合物(其中L表示单齿配体或不含磷的多齿配体（当化合物中存在两个或两个以上的L时，L可以相同也可以不同），X表示阴离子基团，j表示根据X的价确定的值，使Xj整体价为-2，k表示0到4之间的整数)，以及碱的反应产生的。具体来说，本发明的氢化促进剂包括含有炔烃化合物或烯烃化合物作为凝聚抑制剂的钯纳米粒子。
• Jones et al., Journal of the Chemical Society, 1954, p. 3212,3216
  作者：Jones et al.

  DOI：——

  日期：——
• UTIMOTO, KIITIRO, PURE AND APPL. CHEM., 1983, 55, N 11, 1845-1852
  作者：UTIMOTO, KIITIRO

  DOI：——

  日期：——
• US4235823A
  申请人：——

  公开号：US4235823A

  公开（公告）日：1980-11-25
• US7619125B2
  申请人：——

  公开号：US7619125B2

  公开（公告）日：2009-11-17