1,1'-(ethane-1,2-diyl)bis(1,4,8,11-tetraazacyclotetradecane) | 110078-38-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1'-(ethane-1,2-diyl)bis(1,4,8,11-tetraazacyclotetradecane)
• 英文别名: JM 2762；11,11'-(1,2-ethanediyl)bis-1,4,8,11-tetraazacyclotetradecane；1,4,8,11-Tetraazatetradecane, 1,1'-(1,2-ethanediyl)bis-；1-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane
• CAS: 110078-38-1
• 化学式: C₂₂H₅₀N₈
• 分子量: 426.693
• InChiKey: GVPVISVGQUQSSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  78.7
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,1'-(ethane-1,2-diyl)bis(1,4,8,11-tetraazacyclotetradecane) 在 铜 、 sodium acetate 、 溶剂黄146 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  大环配体的金属配合物。第三十七部分 异位双双环化合物的合成及其制备杂双核金属配合物的潜力†

  摘要：

  描述了使用三-N-保护的四氮杂环烷烃作为结构单元和溴乙酰溴作为桥联剂制备异二位双-大环化合物的新的且普遍适用的合成途径。在第一步中，将溴乙酰溴用作一个大环的酰化剂，而在第二步中，将其用作第二个大环的烷基化剂，从而得到受保护的双-大环酰胺（例如6）。酰胺部分还原并脱保护后，获得具有乙烯桥的双氮杂大环（例如8）。相应的同位双双大环16和17还准备进行比较。分光光度法研究表明，由12和14元环组成的双大环8以相等的亲和力结合两个金属离子，而化合物13中有一个未取代的（环酰胺）和一个三甲基取代的四氮杂环十四烷单元（Me 3 cyclam）被桥接，显示出选择性的金属离子结合。第一个金属离子总是结合到cyclam单元中，而第二个则与Me 3 cyclam大环结合。因此，通过顺序地添加两种不同的金属离子，可以容易地制备异双核络合物。Ni 2+的电化学通过CV和DPV研究的金属配合物以及双核Cu 2+配合

  DOI：

  10.1002/hlca.19940770105

文献信息

• Chemokine combinations to mobilize progenitor/stem cells
  申请人：Bridger J. Gary

  公开号：US20060035829A1

  公开（公告）日：2006-02-16

  Methods to elevate progenitor and stem cell counts in animal subjects using compounds which bind to the chemokine receptor CXCR4 in combination with the CXCR2 chemokine GROβ, including its modified forms, are disclosed.

  使用与趋化因子受体CXCR4结合的化合物与CXCR2趋化因子GROβ及其改良形式结合，揭示了提高动物主体中祖细胞和干细胞数量的方法。
• Methods to mobilize progenitor/stem cells
  申请人：——

  公开号：US20030130250A1

  公开（公告）日：2003-07-10

  Methods to elevate progenitor and stem cell counts in animal subjects using compounds which bind to the chemokine receptor CXCR4 are disclosed. Preferred embodiments of such compounds are of the formula Z-linker-Z′  (1) or pharmaceutically acceptable salt thereof wherein Z is a cyclic polyamine containing 9-32 ring members of which 3-8 are nitrogen atoms, said nitrogen atoms separated from each other by at least 2 carbon atoms, and wherein said heterocycle may optionally contain additional heteroatoms besides nitrogen and/or may be fused to an additional ring system; or Z is of the formula 1 wherein A comprises a monocyclic or bicyclic fused ring system containing at least one N and B is H or an organic moiety of 1-20 atoms, Z′ may be embodied in a form as defined by Z above, or alternatively may be of the formula —N(R)—(CR 2 ) n —X wherein each R is independently H or straight, branched or cyclic alkyl (1-6C), n is 1 or 2, and X is an aromatic ring, including heteroaromatic rings, or is a mercaptan; “linker” represents a bond, alkylene (1-6C) or may comprise aryl, fused aryl, oxygen atoms contained in an alkylene chain, or may contain keto groups or nitrogen or sulfur atoms.

  公开了一种使用与趋化因子受体CXCR4结合的化合物来提高动物主体和干细胞数量的方法。这些化合物的首选实施例为以下公式所示：Z-连接物-Z′（1）或其药用盐，其中Z是含有9-32个环成员的环状多胺，其中3-8个是氮原子，所述氮原子彼此之间至少相隔2个碳原子，且所述杂环除了氮原子外还可以包含额外的杂原子和/或与额外的环系统融合；或者Z为以下公式1所示：其中A包括至少一个N的单环或双环融合环系统，B为H或1-20个原子的有机基团，Z'可以采用如上所定义的Z的形式，或者也可以是以下公式的形式：-N（R）-（CR2）n-X其中每个R独立地为H或直链、支链或环烷基（1-6C），n为1或2，X为芳香环，包括杂芳环，或者是硫醇；“连接物”代表键，烷基（1-6C）或可能包含芳基、融合芳基、含在烷基链中的氧原子，或者可能含有酮基团、氮原子或硫原子。
• METHODS TO MOBILIZE PROGENITOR/STEM CELLS
  申请人：Genzyme Global S.à.r.l.

  公开号：EP3632425A1

  公开（公告）日：2020-04-08

  Methods to elevate progenitor and stem cell counts in animal subjects using compounds which bind to the chemokine receptor CXCR4 are disclosed. Preferred embodiments of such compounds are of the formula Z-linker-Z' (1) or pharmaceutically acceptable salt thereof wherein Z is a cyclic polyamine containing 9-32 ring members of which 3-8 are nitrogen atoms, said nitrogen atoms separated from each other by at least 2 carbon atoms, and wherein said heterocycle may optionally contain additional heteroatoms besides nitrogen and/or may be fused to an additional ring system; or Z is of formula (a), wherein A comprises a monocyclic or bicyclic fused ring system containing at least one N and B is H or an organic moiety of 1-20 atoms, Z' may be embodied in a form as defined by Z above, or alternatively may be of the formula -N(R)-(CR2)n-X wherein each R is independently H or straight, branched or cyclic alkyl (1-6C), n is 1 or 2, and X is an aromatic ring, including heteroaromatic rings, or is a mercaptan; "linker" represents a bond, alkylene (1-6C) or may comprise aryl, fused aryl, oxygen atoms contained in an alkylene chain, or may contain keto groups or nitrogen or sulphur atoms.

  本研究公开了使用与趋化因子受体 CXCR4 结合的化合物提高动物体内祖细胞和干细胞数量的方法。此类化合物的优选实施方案为式 Z-linker-Z' (1) 或其药学上可接受的盐，其中 Z 是环状多胺，包含 9-32 个环成员，其中 3-8 个为氮原子，所述氮原子之间至少相隔 2 个碳原子，所述杂环除氮原子外还可选择包含其他杂原子和/或可与其他环系统融合；或 Z 为式(a)，其中 A 包含单环或双环融合环系统，至少含有一个 N，B 为 H 或 1-20 个原子的有机分子，Z'可以如上文 Z 所定义的形式体现，或者可以为式-N(R)-(CR2)n-X，其中每个 R 独立地为 H 或直链、支链或环状烷基（1-6C），n 为 1 或 2，X 为芳香环，包括杂芳香环，或者为硫醇；"连接剂 "代表键、亚烷基（1-6C），或可包括芳基、融合芳基、亚烷基链中包含的氧原子，或可包含酮基或氮或硫原子。
• Dosing regimens for the mobilization of hematopoietic stem cells
  申请人：Magenta Therapeutics Inc.

  公开号：US10058573B1

  公开（公告）日：2018-08-28

  Described herein are compositions and methods useful for mobilizing populations of hematopoietic stem and progenitor cells within a subject, as well as for determining whether samples of mobilized cells are suitable for release for ex vivo expansion and/or therapeutic use. In accordance with the composition and methods described herein, mobilized hematopoietic stem and progenitor cells can be withdrawn from a donor and administered to a patient for the treatment of various disorders, including hematopoietic diseases, metabolic disorders, cancers, and autoimmune diseases, among others.

  本文描述的组合物和方法可用于动员受试者体内的造血干细胞和祖细胞群，以及确定动员细胞样本是否适合释放用于体外扩增和/或治疗用途。根据本文所述的组合物和方法，动员的造血干细胞和祖细胞可从供体中提取并施用给患者，用于治疗各种疾病，包括造血疾病、代谢性疾病、癌症和自身免疫性疾病等。
• Mobilizing agents and uses therefor
  申请人：The University of Queensland

  公开号：US10933049B2

  公开（公告）日：2021-03-02

  The present invention discloses the use of a complement 3a receptor (C3aR) antagonist and a mobilizer of hematopoietic stem cells and/or progenitor cells in methods and compositions for stimulating or enhancing the development, mobilization, proliferation and/or differentiation of a neutrophil-containing leukocyte population that inhibits growth and/or spread of a tumor and for treating or preventing a hyperproliferative cell disorder.

  本发明公开了补体3a受体（C3aR）拮抗剂和造血干细胞和/或祖细胞动员剂在刺激或增强含中性粒细胞的白细胞群的发育、动员、增殖和/或分化的方法和组合物中的应用，该方法和组合物能抑制肿瘤的生长和/或扩散，并能治疗或预防细胞过度增殖症。