6,9-Bis(t-butyloxycarbonylmethyl)-3-benzyl-3,6,9-triaza-undecanedicarboxylic acid-di-t-butyl ester | 193143-29-2

• 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: 6,9-Bis(t-butyloxycarbonylmethyl)-3-benzyl-3,6,9-triaza-undecanedicarboxylic acid-di-t-butyl ester
• 英文别名: Tert-butyl 2-[2-[benzyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]acetate
• CAS: 193143-29-2
• 化学式: C₃₅H₅₉N₃O₈
• 分子量: 649.869
• InChiKey: BSACIVKAANMTSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• Pharmaceutical compositions comprising metal complexes
  申请人：——

  公开号：US20020049190A1

  公开（公告）日：2002-04-25

  A compound of the formula [M a (X b L) c Y d Z e ] nt± Formula I wherein: M is a metal ion or a mixture of metal ions; X is a cation or a mixture of cations; L is a ligand, or mixture of ligands each containing at least two different donor atoms selected from the elements of Group IV, Group V or Group VI of the Periodic Table; Y is a ligand or a mixture of the same or different ligands each containing at least one donor atom or more than one donor atom selected from the elements of Group IV, Group V or Group VI of the Periodic Table; and Z is a halide or pseudohalide ion or a mixture of halide ions and pseudohalide ions; and wherein: a=1-3; b=0-12; c=0-18; d=0-18; e=0-18; and n=0-10; provided that at least one of c, d and e is 1 or more; wherein c is 0: b is also 0; wherein a is 1: c, d and e are not greater than 9; and wherein a is 2: c, d and e are not greater than 12.

  该化合物的化学式为[Ma(XbL)cYdZe]nt±Formula I其中：M是金属离子或金属离子的混合物；X是阳离子或阳离子的混合物；L是配体，或者是至少含有周期表IV、V或VI族元素中至少两种不同供体原子的配体混合物；Y是配体或者是至少含有周期表IV、V或VI族元素中至少一个供体原子或多个供体原子的相同或不同配体的混合物；Z是卤素或伪卤素离子或卤素离子和伪卤素离子的混合物；并且其中：a=1-3；b=0-12；c=0-18；d=0-18；e=0-18；n=0-10；前提是c、d和e中至少有一个大于等于1；其中c为0时：b也为0；其中a为1时：c、d和e均不大于9；其中a为2时：c、d和e均不大于12。
• PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES
  申请人：ANORMED INC.

  公开号：EP1163247A1

  公开（公告）日：2001-12-19
• [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES<br/>[FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DES COMPLEXES DE METAUX
  申请人：ANORMED INC

  公开号：WO2000056743A1

  公开（公告）日：2000-09-28

  A compound of the formula [Ma(XbL)cYdZe]nt± wherein: M is a metal ion or a mixture of metal ions; X is a cation or a mixture of cations; L is a ligand, or mixture of ligands each containing at least two different donor atoms selected from the elements of Group IV, Group V or Group VI of the Periodic Table; Y is a ligand or a mixture of the same or different ligands each containing at least one donor atom or more than one donor atom selected from the elements of Group IV, Group V or Group VI of the Periodic Table; and Z is a halide or pseudohalide ion or a mixture of halide ions and pseudohalide ions; and wherein: a=1-3; b=0-12; c=0-18; d=0-18; e=0-18; and n=0-10; provided that at least one of c, d and e is 1 or more; wherein c is 0: b is also 0; wherein a is 1: c, d and e are not greater than 9; and wherein a is 2: c, d and e are not greater than 12.
• [EN] PREPARATION OF DTPA ESTERS WITH DIFFERENT ESTER GROUPS<br/>[FR] PRÉPARATION D'ESTERS D'ACIDE DIÉTHYLÈNETRIAMINEPENTAACÉTIQUE (DPTA) À L'AIDE DE DIFFÉRENTS GROUPES ESTERS
  申请人：MALLINCKRODT INC

  公开号：WO2000058265A1

  公开（公告）日：2000-10-05

  The synthesis of compounds of formula (XI) wherein each R4 is a removable protecting group; R5 is a removable protecting group different from and removable separately from R4; each R6 and R8 is a linking moiety having 1 to 10 carbon atoms; and R9 is hydrogen or a C1 to C50 alkyl moiety, is disclosed. These compounds are useful intermediates in the synthesis of compounds of formula (X). These compounds are useful in the preparation of nuclear pharmaceuticals such as those used for tumor imaging or tumor therapy.