hex-3-yne-1,1,6,6-tetracarboxylic acid | 199856-14-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: hex-3-yne-1,1,6,6-tetracarboxylic acid
• 英文别名: Hex-3-in-1,1,6,6-tetracarbonsaeure；3-Hexyne-1,1,6,6-tetracarboxylic acid
• CAS: 199856-14-9
• 化学式: C₁₀H₁₀O₈
• 分子量: 258.185
• InChiKey: QHIUYLCEVMTSBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  hex-3-yne-1,1,6,6-tetracarboxylic acid 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 15.75h， 生成 辛二酸
  参考文献：
  名称：

  抑制Hsp90蛋白折叠机制的香豆素A1类似物的合成和评估。

  摘要：

  香豆素抗生素不仅是DNA促旋酶的有效抑制剂，而且是迄今为止报道的最有效的90 kDa热休克蛋白（Hsp90）C端抑制剂。与N端ATP结合位点相反，对Hsp90 C端的了解很少。此外，这类天然产物与Hsp90之间存在非常有限的构效关系。在这封信中，介绍了二聚香豆素类似物的合成及其在乳腺癌细胞系中的抑制作用。

  DOI：

  10.1021/ol061918j
• 作为产物：
  描述：

  hex-3-yne-1,1,6,6-tetracarboxylic acid tetraethyl ester 在 氢氧化钾 作用下， 反应 15.0h， 以75%的产率得到hex-3-yne-1,1,6,6-tetracarboxylic acid
  参考文献：
  名称：

  抑制Hsp90蛋白折叠机制的香豆素A1类似物的合成和评估。

  摘要：

  香豆素抗生素不仅是DNA促旋酶的有效抑制剂，而且是迄今为止报道的最有效的90 kDa热休克蛋白（Hsp90）C端抑制剂。与N端ATP结合位点相反，对Hsp90 C端的了解很少。此外，这类天然产物与Hsp90之间存在非常有限的构效关系。在这封信中，介绍了二聚香豆素类似物的合成及其在乳腺癌细胞系中的抑制作用。

  DOI：

  10.1021/ol061918j

文献信息

• Jones et al., Journal of the Chemical Society, 1954, p. 3212,3216
  作者：Jones et al.

  DOI：——

  日期：——
• CURABLE PHOTOCHROMIC POLYCARBODIIMIDE COMPOSITIONS
  申请人：Transitions Optical, Ltd.

  公开号：EP4081564A1

  公开（公告）日：2022-11-02
• [EN] CURABLE PHOTOCHROMIC COMPOSITIONS INCLUDING AN OXAZOLINE FUNCTIONAL MATERIAL<br/>[FR] COMPOSITIONS PHOTOCHROMIQUES DURCISSABLES COMPRENANT UN MATÉRIAU FONCTIONNEL À BASE D'OXAZOLINE
  申请人：TRANSITIONS OPTICAL LTD

  公开号：WO2021129940A1

  公开（公告）日：2021-07-01

  The present invention relates to curable photochromic compositions which include an at least di-functional oxazoline functional material, an at least di-functional first carboxylic acid functional material, an optional second carboxylic acid functional material having at least three carboxylic acid groups, which optionally includes a carboxylic acid functional polymer, and a photochromic compound. The curable photochromic compositions have an equivalents ratio of oxazoline equivalents of the oxazoline functional material to a total carboxylic acid equivalents of the first and optional second carboxylic acid functional materials of from 0.5:1 to 10:1 when the second carboxylic acid functional material is not present, and from 0.5:1 to 3:1 when the second carboxylic acid functional material is present. The present invention, more particularly, relates to curable photochromic adhesive compositions, and curable photochromic coating compositions.
• [EN] CURABLE PHOTOCHROMIC POLYCARBODIIMIDE COMPOSITIONS<br/>[FR] COMPOSITIONS PHOTOCHROMIQUES DURCISSABLES DE POLYCARBODIIMIDE
  申请人：TRANSITIONS OPTICAL LTD

  公开号：WO2021129939A1

  公开（公告）日：2021-07-01

  The present invention relates to curable photochromic compositions which include a polycarbodiimide, an at least di-functional first carboxylic acid functional material having at least two carboxylic acid groups, an optional second carboxylic acid functional material having at least three carboxylic acid groups, a photochromic compound, and an aprotic organic solvent. The curable photochromic compositions have an equivalents ratio of carbodiimide equivalents of the polycarbodiimide to a total carboxylic acid equivalents of the first and optional second carboxylic acid functional materials of from 0.5:1 to 10:1 when the second carboxylic acid functional material is not present; and from 0.5:1 to 3:1 when the second carboxylic acid functional material is present. The present invention, more particularly, relates to curable photochromic coating compositions, and curable photochromic adhesive compositions.
• Synthesis and Evaluation of Coumermycin A1 Analogues that Inhibit the Hsp90 Protein Folding Machinery
  作者：Joseph A. Burlison、Brian S. J. Blagg

  DOI：10.1021/ol061918j

  日期：2006.10.1

  antibiotics are not only potent inhibitors of DNA gyrase but also represent the most effective C-terminal inhibitors of 90 kDa heat shock proteins (Hsp90) reported thus far. In contrast to the N-terminal ATP-binding site, little is known about the Hsp90 C-terminus. In addition, very limited structure-activity relationships exist between this class of natural products and Hsp90. In this letter, the syntheses

  香豆素抗生素不仅是DNA促旋酶的有效抑制剂，而且是迄今为止报道的最有效的90 kDa热休克蛋白（Hsp90）C端抑制剂。与N端ATP结合位点相反，对Hsp90 C端的了解很少。此外，这类天然产物与Hsp90之间存在非常有限的构效关系。在这封信中，介绍了二聚香豆素类似物的合成及其在乳腺癌细胞系中的抑制作用。