1,4,7-triazacyclononane-1-succinic acid-4,7-diacetic acid | 210217-93-9

• 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-triazacyclononane-1-succinic acid-4,7-diacetic acid
• 英文别名: 2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]butanedioic acid；2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]butanedioic acid
• CAS: 210217-93-9
• 化学式: C₁₄H₂₃N₃O₈
• 分子量: 361.352
• InChiKey: HPYHRVUVTOHBDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.4
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  159
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  gallium(III) nitrate 、 水 、 1,4,7-triazacyclononane-1-succinic acid-4,7-diacetic acid 以 水 为溶剂， 生成
  参考文献：
  名称：

  1,4,7-Triazacyclononane-1-succinic acid-4,7-diacetic acid (NODASA): a new bifunctional chelator for radio gallium-labelling of biomolecules

  摘要：

  我们合成了一种新的双功能螯合剂 NODASA（1,4,7-三氮杂环壬烷-1-丁二酸-4,7-二乙酸），对其动力学惰性镓（III）复合物进行了晶体学表征，并将其与一种氨基酰胺模型共轭，显示了用 68,67Ga 进行预标记的可行性。

  DOI：

  10.1039/a801294f
• 作为产物：
  描述：

  2-(4,7-Bis-tert-butoxycarbonylmethyl-[1,4,7]triazonan-1-yl)-succinic acid dibenzhydryl ester 在 盐酸 、 水 作用下， 生成 1,4,7-triazacyclononane-1-succinic acid-4,7-diacetic acid
  参考文献：
  名称：

  1,4,7-Triazacyclononane-1-succinic acid-4,7-diacetic acid (NODASA): a new bifunctional chelator for radio gallium-labelling of biomolecules

  摘要：

  我们合成了一种新的双功能螯合剂 NODASA（1,4,7-三氮杂环壬烷-1-丁二酸-4,7-二乙酸），对其动力学惰性镓（III）复合物进行了晶体学表征，并将其与一种氨基酰胺模型共轭，显示了用 68,67Ga 进行预标记的可行性。

  DOI：

  10.1039/a801294f

文献信息

• [EN] HSP90-TARGETING CONJUGATES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS CIBLANT LA HSP90 ET FORMULATIONS ASSOCIÉES
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2019195384A1

  公开（公告）日：2019-10-10

  Conjugates of an active agent attached to a targeting moiety, such as at least one HSP90 binding moiety, via a linker, have been designed. Such conjugates can provide improved temporospatial delivery of the active agent, improved biodistribution and penetration in tumor, and/or decreased toxicity. Methods of making the conjugates and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer.

  已设计出将活性剂与靶向基团（例如至少一个HSP90结合基团）通过连接剂结合的共轭物。这种共轭物可以提供改善活性剂的时间空间传递、改善在肿瘤中的生物分布和穿透性，以及/或减少毒性。提供了制备这些共轭物及其配方的方法。提供了将这些配方用于治疗或预防癌症等需要的受试者的方法。
• [EN] HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF<br/>[FR] CONJUGUÉS LIÉS À HSP90 ET FORMULATIONS DE CEUX-CI
  申请人：TARVEDA THERAPEUTICS INC

  公开号：WO2020205948A1

  公开（公告）日：2020-10-08

  Conjugates of an active agent attached to a targeting moiety, such as at least one HSP90 binding moiety, via a linker, have been designed. Such conjugates can provide improved temporospatial delivery of the active agent, improved biodistribution and penetration in tumor, and/or decreased toxicity. Methods of making the conjugates and the formulations thereof are provided. Methods of administering the formulations to a subject in need thereof are provided, for example, to treat or prevent cancer.

  将附着到靶向基团上的活性药剂的共轭物，例如至少一个HSP90结合基团，通过连接剂设计。这样的共轭物可以提供改善的活性药剂的时间空间传递，改善在肿瘤中的生物分布和渗透，以及/或减少毒性。提供了制备这些共轭物和其配方的方法。提供了将这些配方用于需要的受试者的方法，例如用于治疗或预防癌症。
• Neurotensin receptor ligands
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2740726A1

  公开（公告）日：2014-06-11

  The present invention is related to neurotensin receptor antagonists of formula (I): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3-C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (II) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is selected from the group comprising H, Acceptor, -[Acceptor-Effector], -[Linker-Acceptor], and -[Linker-Acceptor-Effector], wherein Acceptor is a moiety which mediates linking of an Effector to the N atom of formula (II) or which mediates linking of the Effector to the Linker, Effector is selected from the group comprising a diagnostically active agent and a therapeutically active agent, Linker is a moiety which links the Acceptor to the N atom of formula (II), -[Acceptor-Effector] is a moiety where the Effector is complexed or covalently bound to the Acceptor, -[Linker-Acceptor] is a moiety where the Linker is conjugated to the Acceptor, and -[Linker-Acceptor-Effector] is a moiety where the Linker is conjugated to the Acceptor, whereby the Effector is complexed or covalently bound to the Acceptor; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及公式(I)的神经肽受体拮抗剂：其中R1选自氢、甲基和环丙基；AA-COOH是选自2-氨基-2-脱氢肌酸、环己甘氨酸和9-氨基-双环[3.3.1]壬烷-9-羧酸的氨基酸；R2选自(C1-C6)烷基、(C3-C8)环烷基、(C3-C8)环烷基甲基、卤素、硝基和三氟甲基；ALK是(C2-C5)烷基亚烷基；R3、R4和R5分别且独立地选自氢和(C1-C4)烷基，但是R3、R4和R5中的一个符合以下公式(II)：其中ALK'是(C2-C5)烷基亚烷基；R6选自氢和(C1-C4)烷基；R7选自包括H、受体、-[受体-效应子]、-[连接剂-受体]和-[连接剂-受体-效应子]的群，其中受体是介导将效应子连接到公式(II)的N原子的基团或将效应子连接到连接剂的基团，效应子选自包括诊断活性剂和治疗活性剂的群，连接剂是将受体连接到公式(II)的N原子的基团，-[受体-效应子]是效应子与受体形成络合物或共价结合的基团，-[连接剂-受体]是连接剂与受体结合的基团，-[连接剂-受体-效应子]是连接剂与受体结合的基团，效应子与受体形成络合物或共价结合；或其药理学上可接受的盐、溶剂或水合物。
• Conjugate comprising a neurotensin receptor ligand
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2954933A1

  公开（公告）日：2015-12-16

  The present invention is related to a conjugate comprising a structure of general formula (I)         [TM1] - [AD1] - [LM] - [AD2] - [TM2]     (I), wherein TM1 is a first targeting moiety, wherein the first targeting moiety is capable of binding to a first target, AD1 is a first adapter moiety or is absent, LM is a linker moiety or is absent, AD2 is a second adapter moiety or is absent, and TM2 is a second targeting moiety, wherein the second targeting moiety is capable of binding to a second target; wherein the first targeting moiety and/or the second targeting moiety is a compound of formula (II): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (III) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is a bond; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及一种包含一般式（I）结构的结合物，其中TM1是第一靶向基团，第一靶向基团能够结合到第一个靶标，AD1是第一适配基团或者不存在，LM是连接基团或者不存在，AD2是第二适配基团或者不存在，TM2是第二靶向基团，第二靶向基团能够结合到第二个靶标；其中第一靶向基团和/或第二靶向基团是式（II）化合物之一：其中R1选自氢、甲基和环丙基甲基组成的群；AA-COOH是选自2-氨基-2-环戊烷羧酸、环己基甘氨酸和9-氨基-双环[3.3.1]壬烷-9-羧酸组成的氨基酸；R2选自（C1-C6）烷基、（C3-C8）环烷基、（C3-C8）环烷基甲基、卤素、硝基和三氟甲基的群；ALK是（C2-C5）烷基亚基；R3、R4和R5各自独立地选自氢和（C1-C4）烷基，但是在R3、R4和R5中的一个符合以下式（III）：其中ALK'是（C2-C5）烷基亚基；R6选自氢和（C1-C4）烷基；R7是键；或其药理学上可接受的盐、溶剂或水合物。
• TARGETED MOLECULAR IMAGING PROBE AND METHOD FOR IN VIVO MOLECULAR IMAGING
  申请人：Shen Baozhong

  公开号：US20150202335A1

  公开（公告）日：2015-07-23

  Disclosed is a targeted molecular imaging probe consisting of a signal component, a component with a targeted affinity to Cx43 and a linker. The biochemical variation characteristic of connexin43 (Cx43) associated with cardiovascular diseases (especially arrhythmia) and neoplastic diseases can be reflected in the form of an image by using the targeted molecular imaging probe capable of being detected by an imaging device, to achieve in vivo molecular imaging.

  本文揭示了一种有针对性的分子成像探针，由信号成分、具有针对Cx43亲和力的成分和连接剂组成。利用该有针对性的分子成像探针，可以通过成像设备检测，反映与心血管疾病（尤其是心律失常）和肿瘤疾病相关的连接素43（Cx43）的生化变异特征，实现体内分子成像。