| 365569-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 365569-76-2
• 化学式: C₂₉H₅₀O₇Si₂
• 分子量: 566.883
• InChiKey: YRLMIWAIYUXYBY-XPLNXOJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.24
• 重原子数：
  38.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  75.61
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 palladium diacetate 、 Grubbs catalyst first generation 、 1,3-双(二苯基膦)丙烷 、 potassium carbonate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 (5aR,6R,7aS,11R,12aS,12bR)-2,2,4,4-Tetraisopropyl-6-(4-methoxy-benzyloxymethyl)-11-phenoxy-5a,7a,8,11,12a,12b-hexahydro-6H-1,3,5,7,12-pentaoxa-2,4-disila-benzo[1,2;3,4]dicycloheptene
  参考文献：
  名称：

  Concise Synthesis of Ciguatoxin ABC-Ring Fragments and Surface Plasmon Resonance Study of the Interaction of their BSA Conjugates with Monoclonal Antibodies

  摘要：

  Monoclonal antibodies (mAbs), 4H2 and 6H7, were prepared previously using a protein conjugate of a 1:1 epimeric mixture of the synthetic ABC-ring fragments or ciguatoxin (CTX), 3 and 4. Here, the interactions of these mAbs with the fragments of CTX and CTX3C, 3 and 5, were investigated by surface plasmon resonance (SPR) spectroscopy in an attempt to clarify an antigenic determinant. Compared with the previous synthesis, the fragment 3 possessing the 2S configuration was synthesized from tri-O-acetyl-D-glucal much more effectively. The mAb 4H2 was already known to show a dose-dependent binding to the bovine serum albumin (BSA) conjugate of 3, bur not to that of 5. The present SPR study of 4H2 demonstrates that the A-ring side chain of 3 plays a decisive role as an epitope. Therefore, SPR can effectively replace the ELISA method for the analysis of mAbs. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00358-4
• 作为产物：
  描述：

  D-葡萄烯糖 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 、 sodium hydride 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Concise Synthesis of Ciguatoxin ABC-Ring Fragments and Surface Plasmon Resonance Study of the Interaction of their BSA Conjugates with Monoclonal Antibodies

  摘要：

  Monoclonal antibodies (mAbs), 4H2 and 6H7, were prepared previously using a protein conjugate of a 1:1 epimeric mixture of the synthetic ABC-ring fragments or ciguatoxin (CTX), 3 and 4. Here, the interactions of these mAbs with the fragments of CTX and CTX3C, 3 and 5, were investigated by surface plasmon resonance (SPR) spectroscopy in an attempt to clarify an antigenic determinant. Compared with the previous synthesis, the fragment 3 possessing the 2S configuration was synthesized from tri-O-acetyl-D-glucal much more effectively. The mAb 4H2 was already known to show a dose-dependent binding to the bovine serum albumin (BSA) conjugate of 3, bur not to that of 5. The present SPR study of 4H2 demonstrates that the A-ring side chain of 3 plays a decisive role as an epitope. Therefore, SPR can effectively replace the ELISA method for the analysis of mAbs. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00358-4