| 1071906-14-3

• 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
• CAS: 1071906-14-3
• 化学式: C₆₁H₈₈N₆O₁₄P₂
• 分子量: 1191.35
• InChiKey: NWBRQDOZWNDQOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.44
• 重原子数：
  83.0
• 可旋转键数：
  27.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  221.12
• 氢给体数：
  2.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  An osteoclast-targeting agent for imaging and therapy of bone metastasis

  摘要：

  A hybrid compound (DO3A-BP) featuring a radiometal bifunctional chelator (1,4,7,10-tetraazacyclotetradecane-N,N',N '',N '',N'"-tetraacetic acid, DOTA) and an osteoclast-targeting moiety ( bisphosphonate) was designed and synthesized. The In-111-labeled complex of DO3A-BP showed significantly elevated uptake in osteoclasts compared to the undifferentiated adherent bone marrow derived cells. Biodistribution studies revealed a favorable tissue distribution pro. le in normal mice with high bone uptake and long retention, and low or negligible accumulation in non-target organs. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.092
• 作为产物：
  描述：

  2-氨基乙基单酰胺-DOTA-TRIS(T-BU酯) 、 3,3-bis(dibenzyloxyphosphoryl)propanoic acid 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以50%的产率得到
  参考文献：
  名称：

  An osteoclast-targeting agent for imaging and therapy of bone metastasis

  摘要：

  A hybrid compound (DO3A-BP) featuring a radiometal bifunctional chelator (1,4,7,10-tetraazacyclotetradecane-N,N',N '',N '',N'"-tetraacetic acid, DOTA) and an osteoclast-targeting moiety ( bisphosphonate) was designed and synthesized. The In-111-labeled complex of DO3A-BP showed significantly elevated uptake in osteoclasts compared to the undifferentiated adherent bone marrow derived cells. Biodistribution studies revealed a favorable tissue distribution pro. le in normal mice with high bone uptake and long retention, and low or negligible accumulation in non-target organs. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.092