5,11,17,23-Tetrakis[bis[di(propan-2-yloxy)phosphoryl]methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol | 1309314-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17,23-Tetrakis[bis[di(propan-2-yloxy)phosphoryl]methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
• CAS: 1309314-90-6
• 化学式: C₈₀H₁₃₆O₂₈P₈
• 分子量: 1793.73
• InChiKey: CWDIDCCXVDCBQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  116
• 可旋转键数：
  44
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  365
• 氢给体数：
  4
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  5,11,17,23-Tetrakis[bis[di(propan-2-yloxy)phosphoryl]methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol 在 三甲基溴硅烷 、 甲醇 作用下， 生成 C₃₂H₄₀O₂₈P₈
  参考文献：
  名称：

  Synthesis of Calixarene-Methylenebisphosphonic Acids and Their Influence on Fibrin Polymerization

  摘要：

  A series of hydroxycalix[4]arenes bearing one, two, or four fragments of methylenebisphosphonic acids was synthesized by the reaction of appropriate formylcalixarenes with sodium salts of dialkylphosphites. These calixarenes inhibit specifically 50% of fibrin polymerization in the fibrinogen + thrombin reaction as well as monomeric fibrin desAABB polymerization in concentration up to 0.5 x 10(-6) M.

  DOI：

  10.1080/10426507.2010.521212
• 作为产物：
  描述：

  亚磷酸二异丙酯 、 tetraformylcalixarene 在 sodium 作用下， 生成 5,11,17,23-Tetrakis[bis[di(propan-2-yloxy)phosphoryl]methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
  参考文献：
  名称：

  Synthesis of Calixarene-Methylenebisphosphonic Acids and Their Influence on Fibrin Polymerization

  摘要：

  A series of hydroxycalix[4]arenes bearing one, two, or four fragments of methylenebisphosphonic acids was synthesized by the reaction of appropriate formylcalixarenes with sodium salts of dialkylphosphites. These calixarenes inhibit specifically 50% of fibrin polymerization in the fibrinogen + thrombin reaction as well as monomeric fibrin desAABB polymerization in concentration up to 0.5 x 10(-6) M.

  DOI：

  10.1080/10426507.2010.521212

文献信息

• TETRAKIS[BIS(DIHYDROXYPHOSPHORYL)METHYL]CALIX[4]ARENE OR ITS SODIUM SALT THEREOF AS FIBRIN POLYMERIZATION INHIBITORS
  申请人：Komisarenko Serhii Vasyl'ovych

  公开号：US20130090494A1

  公开（公告）日：2013-04-11

  There is proposed a chemical compound of 5,11,17,23-tetrakis[bis(dihydroxyphosphoryl)methyl]calix[4]arene and a sodium salt thereof, which can be used as antithrombotic agents. A highly specific inhibiting effect of the aforementioned calixarenes on the fibrin polymerization has been identified. It has been found that the addition of the aforementioned calixarenes to blood plasma leads to an increase of the prothrombin time and the activated partial thromboplastin time.

  提出了一种化学化合物，即5,11,17,23-四(双羟基磷酰基)甲基]卡利克斯[4]芳烃及其钠盐，可用作抗血栓药物。已确定上述卡利克斯芳烃对纤维蛋白聚合的高度特异性抑制作用。发现将上述卡利克斯芳烃添加到血浆中会导致凝血酶原时间和活化部分凝血活酶时间的增加。
• 3-Methylsulfidopropoxycalixarene methylenebisphosphonic acid for aminoacids chemosensor
  作者：Sergiy Cherenok、Olexander Soldatkin、Svetlana Marchenko、Olga Soldatkina、Olga Kalchenko、Olena Prineva、Oleg Silenko、Sergiy Dzyadevych、Vitaly Kalchenko

  DOI：10.1080/10426507.2018.1550491

  日期：2019.5.27

  A method for the synthesis of calix[4]arenes possessing methylenebisphosphonic acid groups capable of forming supramolecular complexes with amino acids, and anchoring 3-methylsulfidopropoxy groups capable of chemical bonding to the gold microchip of a conductometric sensor was developed.[GRAPHICS].