1,4,7,10-tetra(2-glutaryl)-1,4,7,10-tetraazacyclododecane

• 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: 1,4,7,10-tetra(2-glutaryl)-1,4,7,10-tetraazacyclododecane
• 英文别名: P730；1,4,7,10-Tetrakis[1,3-dicarboxypropyl]-1,4,7,10-tetraazacyclododecane；2-[4,7,10-Tris(1,3-dicarboxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanedioic acid
• 化学式: C₂₈H₄₄N₄O₁₆
• 分子量: 692.675
• InChiKey: AFQGVJQUGCIFLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11
• 重原子数：
  48
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  311
• 氢给体数：
  8
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  轮环藤宁 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 1,4,7,10-tetra(2-glutaryl)-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  P760 的物理化学表征，一种具有高弛豫率的新型大分子造影剂

  摘要：

  P760-Gd 是 DOTA-Gd 的亲水衍生物，分子量为 5.6 kDa，已在各种介质中表征：水溶液、含蛋白质的溶液和含 Zn2+ 的溶液。已经进行了多项研究，包括通过铕配合物的激光诱导发光确定球内水分子的数量、作为场强函数的水 1H 核磁弛豫率，以及钆水的 17O 弛豫质子的复杂脉冲磁场梯度自旋回波和标记镧类似物的 2H 横向弛豫率。P760-Gd 在水中的大质子弛豫率源于水合复合物的长旋转相关时间（τR ≈ 2 ns 在 310 K）。与 DOTA-Gd 一样，质子弛豫没有观察到显着的 Zn2+ 金属转移过程。最后，通过质子弛豫分析 P760-Gd 与血清蛋白的非共价结合表明 P760-Gd 不与人血清白蛋白相互作用。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200300036

文献信息

• Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates
  申请人：Nachman Isabelle

  公开号：US20070098643A1

  公开（公告）日：2007-05-03

  The invention relates to high-relaxivity macrocyclic gadolinium chelate oligomers of formula W-(A) m in which W, A and m are as defined in claim 1 , and their use as a blood pool contrast product for magnetic resonance imaging.

  这项发明涉及公式W-(A)min的高弛豫率大环钆螯合寡聚体，其中W、A和m如权利要求1中所定义，并且它们作为磁共振成像的血池对比剂产品使用。
• COMPOUNDS FOR THE DIAGNOSIS OF DISEASES ASSOCIATED WITH VCAM EXPRESSION
  申请人：Port Marc

  公开号：US20110200533A1

  公开（公告）日：2011-08-18

  The present invention relates to a compound of the following general formula (I): Signal-Linker-Peptide (I) in which: -Signal represents a signal entity; -Linker, which may or may not be present, represents a chemical bond, and -Peptide represents a peptide comprising a VCAM-targeting peptide, the VCAM-targeting peptide being chosen from the peptides of formula below and the functional equivalents thereof: a) X1-X2-X3-X4-X5-X6-X7-X8-X9 (1) (SEQ ID No. 1) where X1 is absent or chosen from cysteine and methionine; X2 chosen from asparagine and glutamine; X3 chosen from asparagine and glutamine; X4 chosen from serine and threonine; X5 chosen from lysine, arginine, histidine and ornithine; X6 chosen from serine and threonine; X7 chosen from histidine, arginine and lysine; X8 chosen from threonine and serine; X9 is absent or chosen from cysteine and methionine; preferably, the peptide CNNSKSHTC (SEQ ID No. 2) and the peptide NNSKSHT (SEQ ID No. 3); b) X10-X11-X12-X13-X14-X15-X16-X17-X18 (2) (SEQ ID No. 4) with X10 chosen from cysteine and methionine; X11 chosen from methionine and cysteine; X12 chosen from lysine, arginine and alanine; X13 chosen from threonine and serine; X14 chosen from aspartic acid and glutamic acid; X15 chosen from threonine and serine; X16 chosen from arginine, alanine and lysine; X17 chosen from leucine, isoleucine and valine; X18 chosen from cysteine and methionine; preferably, the peptide CMKTDTRLC (SEQ ID No. 5); and the pharmaceutically acceptable salts of these compounds of a) or of b).

  本发明涉及以下一般式(I)的化合物：Signal-Linker-Peptide (I)其中：- Signal代表信号实体；- Linker，可以存在也可以不存在，代表化学键；- Peptide代表包含VCAM靶向肽的肽，所述VCAM靶向肽从以下式的肽中选择，以及其功能等效物：a) X1-X2-X3-X4-X5-X6-X7-X8-X9 (1) (序列号1)，其中X1不存在或从半胱氨酸和蛋氨酸中选择；X2从天冬氨酸和谷氨酸中选择；X3从天冬氨酸和谷氨酸中选择；X4从丝氨酸和苏氨酸中选择；X5从赖氨酸、精氨酸、组氨酸和鸟氨酸中选择；X6从丝氨酸和苏氨酸中选择；X7从组氨酸、精氨酸和赖氨酸中选择；X8从苏氨酸和丝氨酸中选择；X9不存在或从半胱氨酸和蛋氨酸中选择；优选的肽为CNNSKSHTC (序列号2)和NNSKSHT (序列号3)；b) X10-X11-X12-X13-X14-X15-X16-X17-X18 (2) (序列号4)，其中X10从半胱氨酸和蛋氨酸中选择；X11从蛋氨酸和半胱氨酸中选择；X12从赖氨酸、精氨酸和丙氨酸中选择；X13从苏氨酸和丝氨酸中选择；X14从天冬氨酸和谷氨酸中选择；X15从苏氨酸和丝氨酸中选择；X16从精氨酸、丙氨酸和赖氨酸中选择；X17从亮氨酸、异亮氨酸和缬氨酸中选择；X18从半胱氨酸和蛋氨酸中选择；优选的肽为CMKTDTRLC (序列号5)；以及a)或b)中的这些化合物的药用盐。
• COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS
  申请人：Port Marc

  公开号：US20100143250A1

  公开（公告）日：2010-06-10

  The present invention relates to a compound of general formula (I) below: Signal−Linker−Peptide (I) in which Signal represents a signal entity; Linker, which may or may not be present, represents a chemical bond and Peptide represents a peptide comprising an apoptosis-targeting peptide, the apoptosis-targeting peptide being chosen from the peptides having the formula below and the functional equivalents thereof: X1-X2-X3-X4-X5-X6 (1) (SEQ ID No 1) in which X1 and X2 represent, independently of one another, leucine or isoleucine, X3 and X4 represent lysine, X5 represents proline and X6 represents phenylalanine, advantageously the peptide L-I-K-K-P-F (SEQ ID No 11) and the functional equivalents thereof; D-A-H-S-X7-S (2) (SEQ ID No 2) in which X7 represents phenylalanine or leucine; P-G-D-L-X8-X9 (3) (SEQ ID No 3) in which X8 represents serine or valine and X9 represents threonine or arginine; H-G-X10-L-S-X11 (4) (SEQ ID No 4) in which X10 represents aspartic acid or histidine, and X11 represents threonine or isoleucine; V-L-G-E-R-G (5) (SEQ ID No 5); and the pharmaceutically acceptable salts of these compounds.

  本发明涉及一种通式（I）化合物：Signal−Linker−Peptide（I），其中Signal代表信号实体；Linker代表可能存在或不存在的化学键；Peptide代表包含凋亡靶向肽的肽，所述凋亡靶向肽选择以下具有通式的肽及其功能等效物：X1-X2-X3-X4-X5-X6（1）（SEQ ID No 1），其中X1和X2分别独立地表示亮氨酸或异亮氨酸，X3和X4表示赖氨酸，X5表示脯氨酸，X6表示苯丙氨酸，优选的肽为L-I-K-K-P-F（SEQ ID No 11）及其功能等效物；D-A-H-S-X7-S（2）（SEQ ID No 2），其中X7表示苯丙氨酸或亮氨酸；P-G-D-L-X8-X9（3）（SEQ ID No 3），其中X8表示丝氨酸或缬氨酸，X9表示苏氨酸或精氨酸；H-G-X10-L-S-X11（4）（SEQ ID No 4），其中X10表示天冬氨酸或组氨酸，X11表示苏氨酸或异亮氨酸；V-L-G-E-R-G（5）（SEQ ID No 5）；以及这些化合物的药学上可接受的盐。
• Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents
  申请人：Aime Silvio

  公开号：US20070258905A1

  公开（公告）日：2007-11-08

  The present invention relates to a new class of paramagnetic ion-based contrast agents of molecular weight lower than 3.5 kDa that show a pharmacokinetic profile analogous to that of the commonly used T1-general extravascular agents and that are further characterized by a higher relaxivity.

  本发明涉及一种新的顺磁离子基对比剂，其分子量低于3.5 kDa，显示类似于常用的T1通用非血管内对比剂的药代动力学特征，并且具有更高的弛豫度。
• Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium
  申请人：Port Marc

  公开号：US20110092806A1

  公开（公告）日：2011-04-21

  The invention concerns compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium. The invention also concerns methods for obtaining said compounds, screening methods capable of selecting such compounds for chemical synthesis thereof and their diagnostic applications, in particular in PET, PET/IRM, PET CT imaging.

  本发明涉及化合物，包括生物靶标识别部分和能够与镓形成配合物的信号部分。本发明还涉及获得这些化合物的方法，筛选方法能够选择这些化合物进行化学合成以及它们的诊断应用，特别是在PET、PET/IRM、PET CT成像中。