(di-tert-butoxyphosphoryl)methyl trifluoromethanesulfonate | 178676-06-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (di-tert-butoxyphosphoryl)methyl trifluoromethanesulfonate
• 英文别名: Bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl trifluoromethanesulfonate
• CAS: 178676-06-7
• 化学式: C₁₀H₂₀F₃O₆PS
• 分子量: 356.3
• InChiKey: LLIBNLZENAHJHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (di-tert-butoxyphosphoryl)methyl trifluoromethanesulfonate 、 1,4,7,10-tetraazacyclododecane-1,7-diacetic acid,4-[(phenyl methoxy)carbonyl]-1,7-bis(1,1-dimethylethyl)ester 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以73%的产率得到7-[[di(t-butoxy)phosphoryl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,10-triacetic acid 1-benzyl 4,10-di-t-butylester
  参考文献：
  名称：

  Compounds Useful as Metal Chelators

  摘要：

  提供了可以用于螯合金属的新化合物。该化合物包括至少在多氮杂大环化合物的一个氮杂基上取代至少一个膦基的聚氮杂大环化合物。还提供了制备这些化合物的方法。进一步提供了利用这些化合物制备诊断成像剂的方法以及诊断成像的方法。还提供了利用这些化合物制备治疗剂的方法以及治疗的方法。

  公开号：

  US20080124270A1
• 作为产物：
  描述：

  二叔丁基亚磷酸盐 在 2,6-二甲基吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 (di-tert-butoxyphosphoryl)methyl trifluoromethanesulfonate
  参考文献：
  名称：

  Contrast enhancement agents and method of use thereof

  摘要：

  提供了一种对比剂组合物和一种诊断成像方法。该组合物包括一种药用载体和一种金属配合物，其包括具有结构（XXX）的配体：其中R1、R2、R3、R7、R8、R′1、R′2、R′3、R7′和R8′从氢、受保护的C1-C3羟基烷基或C1-C3烷基中选择；R4、R′4从氢、羟基、受保护的羟基基团、受保护的C1-C3羟基烷基或C1-C3烷基中选择；n是0到4之间的整数；R5、R′5从氢、包含C1-C30脂肪基、C3-C30环脂基、C2-C30芳香基的保护基中选择；m是1到10之间的整数；R7和R′7中的至少一个是酸性基团或受保护的酸性基团；Y包括蛋白质或肽基团、粒子、胶束、脂质体、有机分子、寡聚体、聚合物或亲水基团。

  公开号：

  US09155804B2

文献信息

• [EN] CD73 INHIBITORS<br/>[FR] INHIBITEURS DE CD73
  申请人：ORIC PHARMACEUTICALS INC

  公开号：WO2019090111A1

  公开（公告）日：2019-05-09

  Described herein are CD73 inhibitors and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of cancer, infections, and neurodegenerative diseases.

  本文描述了CD73抑制剂和包含这些化合物的药物组合物。这些化合物和组合物可用于治疗癌症、感染和神经退行性疾病。
• HYDROXYLATED CONTRAST ENHANCEMENT AGENTS AND IMAGING METHOD
  申请人：Grimmond Brian James

  公开号：US20110243858A1

  公开（公告）日：2011-10-06

  A method of diagnostic imaging is disclosed comprising administering a medical formulation to a subject, the formulation comprising a contrast enhancement agent having structure I and salts thereof wherein R 1 is independently at each occurrence a hydroxy group, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, and b is 0-4; R 2 -R 7 are independently at each occurrence hydrogen, a C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group, with the proviso that at least one of R 1 -R 7 is a hydroxy group or a C 1 -C 3 hydroxyalkyl group; and wherein Q is one or more charge balancing counterions; and one or more pharmaceutically acceptable carriers and excipients. The subject is subjected to a diagnostic imaging technique such as magnetic resonance imaging. The technique may be used in a variety of diagnostic imaging regimes, such as imaging of circulatory systems, genitourinary systems, hepatobiliary systems, central nervous systems, tumors, and abscesses among others.

  揭示了一种诊断成像方法，包括向受试者注射医用配方，该配方包括具有结构I和其盐的对比增强剂，其中R1在每次出现时独立地是羟基、C1-C3羟基烷基或C1-C3烷基，b为0-4；R2-R7在每次出现时独立地是氢、C1-C3羟基烷基或C1-C3烷基，但至少其中之一是羟基或C1-C3羟基烷基；Q是一个或多个电荷平衡的对离子；以及一个或多个药用载体和赋形剂。受试者接受诊断成像技术，如磁共振成像。该技术可用于各种诊断成像方案，如循环系统、泌尿系统、肝胆系统、中枢神经系统、肿瘤和脓肿等的成像。
• BIFUNCTIONAL CHELATING AGENTS
  申请人：GENERAL ELECTRIC COMPANY

  公开号：US20140088314A1

  公开（公告）日：2014-03-27

  A chelating agent, a metal-chelate, and a contrast agent are provided, wherein the chelating agent comprises a compound of structure (I) wherein R 1 , R 2 , R 3 , R 8 , R 7 , R′ 7 R′ 1 , R′ 2 , R′ 3 and R 8 ′ are selected from a hydrogen, a protected C 1 -C 3 hydroxyalkyl group, a C 1 -C 3 alkyl group; R 4 and R′ 4 are selected from a hydrogen, a hydroxyl group, a protected hydroxy group, a protected C 1 -C 3 hydroxyalkyl group, a C 1 -C 3 alkyl group; n is an integer between 0 and 4; R 5 and R′ 5 are selected from a hydrogen, a protecting group selected from the group consisting of C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, C 2 -C 30 aromatic radicals; R 9 and R′ 9 are selected form a hydrogen or a protecting group selected from the group consisting of C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, C 2 -C 30 aromatic radicals, m is an integer between 0 and 10; and at least one of R 7 and R′ 7 is acidic group or a protected acidic group.

  提供了一种螯合剂、金属螯合物和对比剂，其中螯合剂包括结构（I）的化合物，其中R1、R2、R3、R8、R7、R′7、R′1、R′2、R′3和R8′从氢、受保护的C1-C3羟基烷基基团、C1-C3烷基基团中选择；R4和R′4从氢、羟基、受保护的羟基、受保护的C1-C3羟基烷基基团、C1-C3烷基基团中选择；n是0到4之间的整数；R5和R′5从氢、选自C1-C30脂肪基、C3-C30环脂肪基、C2-C30芳香基的保护基中选择；R9和R′9从氢或选自C1-C30脂肪基、C3-C30环脂肪基、C2-C30芳香基的保护基中选择；m是0到10之间的整数；并且R7和R′7中的至少一个是酸性基团或受保护的酸性基团。
• Contrast enhancement agents and method of use thereof
  申请人：General Electric Company

  公开号：US09155804B2

  公开（公告）日：2015-10-13

  A contrast agent composition and a method of diagnostic imaging are provided. The composition comprises a pharmaceutically acceptable carrier and a metal-complex comprising a ligand having structure (XXX): wherein R1, R2, R3, R7, R8, R′1, R′2, R′3, R7′ and R8′ are selected form hydrogen, a protected C1-C3 hydroxyalkyl group, or a C1-C3 alkyl group; R4, R′4 are selected from a hydrogen, a hydroxyl, a protected hydroxyl group, a protected C1-C3 hydroxyalkyl group, a C1-C3 alkyl group; n is an integer between 0 and 4; R5, R′5 are selected from a hydrogen, a protecting group comprising C1-C30 aliphatic radicals, C3-C30 cycloaliphatic radicals, C2-C30 aromatic radicals, m is an integer between 1 and 10; at least one of R7 and R′7 is acidic groups or protected acidic groups; Y comprises a protein or peptide moiety, a particle, a micelle, a liposome, an organic molecule, oligomer, polymer or a hydrophilic moiety.

  提供了一种对比剂组合物和一种诊断成像方法。该组合物包括一种药用载体和一种金属配合物，其包括具有结构（XXX）的配体：其中R1、R2、R3、R7、R8、R′1、R′2、R′3、R7′和R8′从氢、受保护的C1-C3羟基烷基或C1-C3烷基中选择；R4、R′4从氢、羟基、受保护的羟基基团、受保护的C1-C3羟基烷基或C1-C3烷基中选择；n是0到4之间的整数；R5、R′5从氢、包含C1-C30脂肪基、C3-C30环脂基、C2-C30芳香基的保护基中选择；m是1到10之间的整数；R7和R′7中的至少一个是酸性基团或受保护的酸性基团；Y包括蛋白质或肽基团、粒子、胶束、脂质体、有机分子、寡聚体、聚合物或亲水基团。
• CONTRAST ENHANCEMENT AGENTS AND METHOD OF USE THEREOF
  申请人：GENERAL ELECTRIC COMPANY

  公开号：US20140086846A1

  公开（公告）日：2014-03-27

  A contrast agent composition and a method of diagnostic imaging are provided. The composition comprises a pharmaceutically acceptable carrier and a metal-complex comprising a ligand having structure (XXX): wherein R 1 , R 2 , R 3 , R 7 , R 8 , R′ 1 , R′ 2 , R′ 3 , R 7 ′ and R 8 ′ are selected form hydrogen, a protected C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group; R 4 , R′ 4 are selected from a hydrogen, a hydroxyl, a protected hydroxyl group, a protected C 1 -C 3 hydroxyalkyl group, a C 1 -C 3 alkyl group; n is an integer between 0 and 4; R 5 , R′ 5 are selected from a hydrogen, a protecting group comprising C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, C 2 -C 30 aromatic radicals, m is an integer between 1 and 10; at least one of R 7 and R′ 7 is acidic groups or protected acidic groups; Y comprises a protein or peptide moiety, a particle, a micelle, a liposome, an organic molecule, oligomer, polymer or a hydrophilic moiety.

  提供了一种对比剂组合物和诊断成像方法。该组合物包括一种药用载体和一种金属配合物，其包括具有结构（XXX）的配体：其中R1、R2、R3、R7、R8、R′1、R′2、R′3、R7′和R8′从氢、受保护的C1-C3羟基烷基或C1-C3烷基中选择；R4、R′4从氢、羟基、受保护的羟基烷基、受保护的C1-C3羟基烷基或C1-C3烷基中选择；n是0到4之间的整数；R5、R′5从氢、包含C1-C30脂肪基、C3-C30环烷基、C2-C30芳香基的保护基中选择；m是1到10之间的整数；R7和R′7中至少有一个是酸性基团或受保护的酸性基团；Y包括蛋白质或肽基团、粒子、胶束、脂质体、有机分子、寡聚体、聚合物或亲水基团。