N,N',N''-Benzene-1,3,5-Triyltris(2-Bromoacetamide)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N',N''-Benzene-1,3,5-Triyltris(2-Bromoacetamide)
• 英文别名: N-[3,5-bis[(2-bromoacetyl)amino]phenyl]-2-bromoacetamide
• 化学式: C₁₂H₁₂Br₃N₃O₃
• 分子量: 485.95
• InChiKey: ZGENBODMIMDNJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] PEPTIDE LIGANDS FOR BINDING TO MT1-MMP<br/>[FR] LIGANDS PEPTIDIQUES POUR LA LIAISON DE MT1-MMP
  申请人：BICYCLETX LTD

  公开号：WO2018115204A1

  公开（公告）日：2018-06-28

  A peptide ligand specific for MT1 -MMP comprising a polypeptide comprising two diaminopropionic acid (Dap) or N-alkyldiaminopropionic acid (N-AlkDap) residues, and a third residue selected from cysteine, Dap or N-AlkDap, separated by at least two loop sequences, and a molecular scaffold, the peptide being linked to the scaffold by covalent alkylamino linkages with the Dap or N-AlkDap residues of the polypeptide and by covalent thioether linkages with the cysteine when the third residue is cysteine, such that two polypeptide loops are formed on the molecular scaffold, wherein the peptide ligand comprises an amino acid sequence of formula (II): -A1-X1-U/O2-X3-X4-G5-A2-E6-D7-F8-Y9-X10-X11-A3- (SEQ ID NO: 1) (II) or a pharmaceutically acceptable salt thereof; wherein: A1, A2, and A3 are independently cysteine, L-2,3-diaminopropionic acid (Dap), N-beta-alkyl-L-2,3- diaminopropionic acid (N-AlkDap), or N-beta-haloalkyl-L-2,3-diaminopropionic acid (N- HAlkDap), provided that at least one of A1, A2, and A3 is Dap, N-AlkDap or N-HAlkDap; X represents any amino acid residue; U represents a polar, uncharged amino acid residue selected from N, C, Q, M, S and T; and O represents a non-polar aliphatic amino acid residue selected from G, A, I, L, P and V.

  一种特异性结合MT1-MMP的多肽配体，包含一个多肽，该多肽包含两个二氨丙酸（Dap）或N-烷基二氨丙酸（N-AlkDap）残基，以及第三个残基，选自半胱氨酸、Dap或N-AlkDap，通过至少两个环序列隔开，以及一个分子支架，该多肽通过共价烷基氨基连接与多肽的Dap或N-AlkDap残基相连，并且当第三个残基为半胱氨酸时，通过共价硫醚连接与半胱氨酸相连，使得在分子支架上形成两个多肽环，其中多肽配体包含公式（II）的氨基酸序列：-A1-X1-U/O2-X3-X4-G5-A2-E6-D7-F8-Y9-X10-X11-A3-（SEQ ID NO: 1）（II）或其药用可接受的盐；其中：A1、A2和A3独立地为半胱氨酸、L-2,3-二氨丙酸（Dap）、N-β-烷基-L-2,3-二氨丙酸（N-AlkDap）或N-β-卤代烷基-L-2,3-二氨丙酸（N-HAlkDap），前提是至少A1、A2和A3中的一个为Dap、N-AlkDap或N-HAlkDap；X代表任何氨基酸残基；U代表一个极性、不带电的氨基酸残基，选自N、C、Q、M、S和T；O代表一个非极性脂肪族氨基酸残基，选自G、A、I、L、P和V。
• [EN] COMPOUNDS FOR TREATING CANCER<br/>[FR] COMPOSÉS PERMETTANT DE TRAITER LE CANCER
  申请人：BICYCLERD LTD

  公开号：WO2018127699A1

  公开（公告）日：2018-07-12

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• [EN] A METHOD FOR MODIFICATION OF PEPTIDES IMMOBILIZED ON A SOLID SUPPORT BY TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES<br/>[FR] PROCÉDÉ DE MODIFICATION DE PEPTIDES IMMOBILISÉS SUR UN SUPPORT SOLIDE PAR DES MOLÉCULES DE LIAISON POUVANT ÊTRE CLIVÉES PAR RÉDUCTION SANS TRACE
  申请人：BELYNTIC GMBH

  公开号：WO2021023892A1

  公开（公告）日：2021-02-11

  The present invention relates to a method for modifying and purifying peptides comprising an immobilizing step, a modification step and a releasing step. In the immobilizing step, a crude linker-tagged peptide L-P is coupled to a solid support yielding an immobilized linker-tagged peptide S-L-P. Subsequently, the immobilized linker-tagged peptide S-L-P is modified with one or more organic molecules yielding an immobilized linker-tagged peptide S-L-mP. Finally, the modified peptide is released via a reduced intermediate RI. The linker molecule is a compound of formula 1, X-Tb-Va-U-Y-Z (1), which can be coupled to a purification resin via the moiety X and to a peptide via the moiety Y under the release of the leaving group Z. T is an optional spacer moiety and V is an optional electron withdrawing moiety. U is an aryl or 5- or 6-membered heteroaryl moiety bound to at least one electron withdrawing moiety V, W or E. The linker is stable under acidic conditions and releases the peptide upon addition of a reducing agent.

  本发明涉及一种修饰和纯化肽的方法，包括固定步骤、修饰步骤和释放步骤。在固定步骤中，将粗链联标记的肽L-P偶联到固体支持上，得到固定的链联标记的肽S-L-P。随后，用一个或多个有机分子修饰固定的链联标记的肽S-L-P，得到固定的链联标记的肽S-L-mP。最后，通过还原中间体RI释放修饰的肽。链联分子是化合物1的化学式，X-Tb-Va-U-Y-Z（1），可以通过基团X偶联到纯化树脂，通过基团Y偶联到肽，释放离去基团Z。T是可选的间隔基团，V是可选的电子吸引基团。U是芳基或与至少一个电子吸引基团V、W或E结合的芳基或5-或6-成员杂芳基基团。该链联在酸性条件下稳定，并在加入还原剂后释放肽。
• HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES
  申请人：BicycleTx Limited

  公开号：US20190307836A1

  公开（公告）日：2019-10-10

  The present invention relates to heterotandem bicyclic peptide complexes which comprise a first peptide ligand, which binds to a component present on an immune cell, conjugated via a linker to a second peptide ligand, which binds to a component present on a cancer cell. The invention also relates to the use of said heterotandem bicyclic peptide complexes in preventing, suppressing or treating cancer.

  本发明涉及异源串联双环肽复合物，其包括第一肽配体，与免疫细胞上的一种成分结合，通过连接物与第二肽配体结合，与癌细胞上的一种成分结合。本发明还涉及利用上述异源串联双环肽复合物预防、抑制或治疗癌症。
• MULTIMERIC BICYCLIC PEPTIDE LIGANDS
  申请人：BicycleTx Limited

  公开号：US20190263866A1

  公开（公告）日：2019-08-29

  The present invention relates to multimers of polypeptides which are covalently bound to molecular scaffolds such that two or more peptide loops are subtended between attachment points to the scaffold. The invention also describes the multimerization of polypeptides through various chemical linkers and hinges of various lengths and rigidity using different sites of attachments within polypeptides. In particular, the invention describes multimers of peptides which are high affinity binders and activators of CD137. The invention also includes drug conjugates comprising said peptides, conjugated to one or more effector and/or functional groups, to pharmaceutical compositions comprising said peptide ligands and drug conjugates and to the use of said peptide ligands and drug conjugates in preventing, suppressing or treating a disease or disorder mediated by CD137.

  本发明涉及多聚肽的分子支架，其中两个或更多肽环被支架的连接点连接。本发明还描述了通过各种化学连接剂和长度和刚度不同的铰链来多聚肽，使用肽链中的不同连接点。特别地，本发明描述了高亲和力结合和激活CD137的多聚肽。本发明还包括药物结合物，包括所述肽的结合物，与一个或多个效应物和/或功能基团结合，以及包括所述肽配体和药物结合物的制药组合物，并且在预防、抑制或治疗由CD137介导的疾病或障碍中使用所述肽配体和药物结合物。