N-[1-(benzyl)-3-pyrrolidinyl]-N,N'-bis(2-pyridinylmethyl)-1,3-benzenedimethanamine | 297770-25-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-[1-(benzyl)-3-pyrrolidinyl]-N,N'-bis(2-pyridinylmethyl)-1,3-benzenedimethanamine
• 英文别名: 1-benzyl-N-(pyridin-2-ylmethyl)-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
• CAS: 297770-25-3
• 化学式: C₃₁H₃₅N₅
• 分子量: 477.652
• InChiKey: VHUNAUGRQAADNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.3
• 氢给体数：
  1
• 氢受体数：
  5

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。
• Chemokine receptor binding heterocyclic compounds
  申请人：——

  公开号：US20040235823A1

  公开（公告）日：2004-11-25

  This invention relates to a novel class of heterocyclic compounds that bind chemokine receptors, inhibiting the binding of their natural ligands thereby. These compounds result in protective effects against infection by HIV through binding to chemokine receptors, including CXCR4 and CCR5, thus inhibiting the subsequent binding by these chemokines. The present invention provides a compound of Formula I 1 wherein, W is a nitrogen atom and Y is absent or, W is a carbon atom and Y=H; R 1 to R 7 may be the same or different and are independently selected from hydrogen or straight, branched or cyclic C 1-6 alkyl; R 8 is a substituted heterocyclic group or a substituted aromatic group Ar is an aromatic or heteroaromatic ring each optionally substituted at single or multiple, non-linking positions with electron-donating or withdrawing groups; n and n′ are independently, 0-2; X is a group of the formula: 2 Wherein, Ring A is an optionally substituted, saturated or unsaturated 5 or 6-membered ring, and P is an optionally substituted carbon atom, an optionally substituted nitrogen atom, sulfur or oxygen atom. Ring B is an optionally substituted 5 to 7-membered ring. Ring A and Ring B in the above formula can be connected to the group W from any position via the group V, wherein V is a chemical bond, a (CH 2 ) n″ group (where n″=0-2) or a C═O group. Z is, (1) a hydrogen atom, (2) an optionally substituted C 1-6 alkyl group, (3) a C 0-6 alkyl group substituted with an optionally substituted aromatic or heterocyclic group, (4) an optionally substituted C 0-6 alkylamino or C 3-7 cycloalkylamino group, (5) an optionally substituted carbonyl group or sulfonyl. These compounds further include any pharmaceutically acceptable acid addition salts and metal complexes thereof and any stereoisomeric forms and mixtures of stereoisomeric forms thereof.

  本发明涉及一类新型杂环化合物，其能够结合趋化因子受体，抑制其自然配体的结合。这些化合物通过结合趋化因子受体，包括CXCR4和CCR5，从而抑制这些趋化因子的后续结合，从而产生对HIV感染的保护作用。本发明提供了一种I1式化合物，其中，W是氮原子，Y不存在或W是碳原子且Y=H；R1至R7可以相同也可以不同，且独立地选择氢或直链、支链或环状C1-6烷基；R8是取代的杂环基或取代的芳香基；Ar是芳香或杂芳环，可以在单个或多个非连接位置上选择电子给体或电子受体基团进行取代；n和n'独立地为0-2；X是以下式的基团：式中，环A是可选择取代的饱和或不饱和5或6元环，P是可选择取代的碳原子、可选择取代的氮原子、硫或氧原子。环B是可选择取代的5至7元环。上述式中的环A和环B可以通过基团V从任何位置连接到基团W，其中V是化学键、(CH2)n''基团(n''=0-2)或C═O基团。Z是(1)氢原子，(2)可选择取代的C1-6烷基，(3)取代的C0-6烷基，取代的芳香或杂环基，(4)可选择取代的C0-6烷基氨基或C3-7环烷基氨基基团，(5)可选择取代的羰基或磺酰基。这些化合物还包括任何药学上可接受的酸加成盐和金属配合物以及其任何立体异构体和立体异构体混合物。
• 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。