N,N-dibutylbutan-1-amine;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 英文名称: N,N-dibutylbutan-1-amine;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
• 化学式: C33H67N4O9P
• 分子量: 694.9
• InChiKey: FFKQKHDKVHNKGY-QZXWJJPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.54
• 重原子数：
  47
• 可旋转键数：
  21
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  180
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• [EN] PROCESS FOR THE CYCLOADDITION OF A HALOGENATED 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE<br/>[FR] PROCÉDÉ DE CYCLOADDITION D'UN COMPOSÉ 1,3-DIPPOLE HALOGÉNÉ AVEC UN (HÉTÉRO)CYCLOALKYNE
  申请人：SYNAFFIX BV

  公开号：WO2015112016A1

  公开（公告）日：2015-07-30

  The present invention relates to a cycloaddition process comprising the step of reacting a halogenated aliphatic 1,3-dipole compound with a (hetero)cycloalkyne according to Formula (1): Preferably, the (hetero)cycloalkyne according to Formula (1) is a (hetero)cyclooctyne. The invention also relates to the cycloaddition products obtainable by the process according to the invention. The invention further relates to halogenated aliphatic 1,3- dipole compounds, in particular tohalogenated aliphatic 1,3-dipole compounds comprising N-acetylgalactosamine-UDP (GalNAc-UDP),and to halogenated 1,3- dipole compounds comprising (peracylated) N-acetylglucosamine(GlcNAc), N- acetylgalactosamine(GalNAc), N-acetylmannosamine(ManNAc)and N- acetylneuraminic acid(NeuNAc).

  本发明涉及一种环加成过程，包括将卤代脂肪1,3-二极化合物与按照式（1）反应的（杂）环烯烃化合物进行反应的步骤。优选，按照式（1）的（杂）环烯烃化合物是（杂）环辛烯。该发明还涉及根据本发明的方法获得的环加成产物。此外，该发明还涉及卤代脂肪1,3-二极化合物，特别是包括N-乙酰半乳糖氨基葡萄糖醛酸-UDP（GalNAc-UDP）的卤代脂肪1,3-二极化合物，以及包括（过酰化的）N-乙酰葡萄糖胺（GlcNAc）、N-乙酰半乳糖氨基葡萄糖醛酸（GalNAc）、N-乙酰甘露糖氨基葡萄糖醛酸（ManNAc）和N-乙酰神经酸（NeuNAc）的卤代1,3-二极化合物。
• [EN] SULFAMIDE LINKER, CONJUGATES THEREOF, AND METHODS OF PREPARATION<br/>[FR] LIEUR DE TYPE SULFAMIDE, CONJUGUÉS DE CELUI-CI ET PROCÉDÉS DE PRÉPARATION
  申请人：SYNAFFIX BV

  公开号：WO2016053107A1

  公开（公告）日：2016-04-07

  The present invention relates to a compound comprising an alpha-end and an omega-end, the compound comprising on the alpha-end a reactive group Qlcapable of reacting with a functional group F1present on a biomolecule and on the omega-end a target molecule, the compound further comprising a group according to formula (1) or a salt thereof: Said compound may also be referred to as a linker-conjugate. The invention also relates to a process for the preparation of a bioconjugate, the process comprising the step of reacting a reactive group Q1of a linker-conjugate according to the invention with a functional group F1of a biomolecule. The invention further relates to a bioconjugate obtainable by the process according to the invention. In a preferred embodiment, the invention concerns a process for the preparation of a bioconjugate via a cycloaddition, such as a (4+2)-cycloaddition (e.g. a Diels-Alder reaction) or a (3+2)-cycloaddition (e.g. a 1,3-dipolar cycloaddition).

  本发明涉及一种化合物，包括一个α端和一个ω端，该化合物在α端包括一个与生物分子上存在的功能基团F1反应的反应基团Q1，而在ω端包括一个靶分子，该化合物还包括符合以下式（1）或其盐的一个基团：该化合物也可以称为连接物-共轭物。本发明还涉及一种制备生物共轭物的方法，该方法包括将本发明中连接物-共轭物的反应基团Q1与生物分子的功能基团F1反应的步骤。本发明还涉及通过本发明方法获得的生物共轭物。在一个首选实施方式中，本发明涉及通过环加成反应制备生物共轭物的方法，例如（4+2）-环加成反应（例如Diels-Alder反应）或（3+2）-环加成反应（例如1,3-双极环加成）。
• [EN] MODIFIED ANTIBODY, ANTIBODY-CONJUGATE AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] ANTICORPS MODIFIÉ, ANTICORPS-CONJUGUÉ ET PROCÉDÉ DE PRÉPARATION ASSOCIÉ
  申请人：SYNAFFIX BV

  公开号：WO2014065661A1

  公开（公告）日：2014-05-01

  The present invention relates to an antibody comprising a GlcNAc-S(A)x substituent, wherein S(A)x is a sugar derivative comprising x functional groups A wherein A is independently selected from the group consisting of an azido group, a keto group and an alkynyl group and x is 1, 2, 3 or 4, wherein said GlcNAc-S(A)x substituent is bonded to the antibody via CI of the N-acetylglucosamine of said GlcNAc-S(A)x substituent, and wherein said N-acetylglucosamine is optionally fucosylated. The invention also relates to an antibody-conjugate, in particular to an antibody- conjugate according to the Formula (20) or (20b), wherein AB is an antibody, S is a sugar or a sugar derivative, D is a molecule of interest, and wherein said N- acetylglucosamine is optionally fucosylated (b is 0 or 1). The invention further relates to a process for the preparation of a modified antibody, to a process for the preparation of an antibody-conjugate, and to said antibody-conjugate for use as a medicament. In addition, the invention relates to a kit of parts comprising an azide-modified antibody and a linker-conjugate, wherein said linker-conjugate comprises a (hetero)cycloalkynyl group and one or more molecules of interest.

  本发明涉及一种包含GlcNAc-S(A)x取代基的抗体，其中S(A)x是一种包含x个功能基团A的糖衍生物，其中A是从包括偶氮基、酮基和炔基的组中独立选择的，x为1、2、3或4，其中所述的GlcNAc-S(A)x取代基通过所述的GlcNAc-S(A)x取代基的N-乙酰葡萄糖胺的CI与抗体结合，其中所述的N-乙酰葡萄糖胺可选择地被岩藻糖化。本发明还涉及一种抗体结合物，特别是根据式（20）或（20b）的抗体结合物，其中AB是一种抗体，S是一种糖或糖衍生物，D是一种感兴趣的分子，其中所述的N-乙酰葡萄糖胺可选择地被岩藻糖化（b为0或1）。本发明还涉及一种改性抗体的制备方法，一种抗体结合物的制备方法，以及用作药物的所述抗体结合物。此外，本发明还涉及一种部件套件，包括偶氮基修饰的抗体和连接物结合物，其中所述的连接物结合物包括（杂）环炔基团和一个或多个感兴趣的分子。
• PROCESS FOR THE CYCLOADDITION OF A HETERO(ARYL) 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE
  申请人：SYNAFFIX B.V.

  公开号：US20170002012A1

  公开（公告）日：2017-01-05

  A process is provided, comprising reacting a (hetero)aryl 1,3-dipole compound with a (hetero)cycloalkyne, wherein the (hetero)aryl 1,3-dipole compound comprises a 1,3-dipole functional group bonded to a (hetero)aryl group, and wherein the (hetero)aryl 1,3-dipole compound is a (hetero)aryl azide or a (hetero)aryl diazo compound; wherein: (i) the (hetero)aryl group of the (hetero)aryl 1,3-dipole compound comprises a substituent (ii) the (hetero)aryl group of the (hetero)aryl 1,3-dipole compound is an electron-poor (hetero)aryl group and wherein the (hetero)cycloalkyne is a (hetero)cyclooctyne or a (hetero)cyclononyne according to Formula (1). The invention also relates to the products obtainable by the process according to the invention.

  提供一种方法，包括将（杂）芳基1,3-二极化合物与（杂）环炔反应，其中（杂）芳基1,3-二极化合物包括与（杂）芳基结合的1,3-二级极功能基团，并且（杂）芳基1,3-二极化合物是（杂）芳基叠氮化物或（杂）芳基重氮化合物；其中：（i）（杂）芳基1,3-二极化合物的（杂）芳基包括一个取代基（ii）（杂）芳基1,3-二极化合物的（杂）芳基是一个电子贫富（杂）芳基，并且（杂）环炔是根据式（1）的（杂）环辛烯或（杂）环壬炔。该发明还涉及根据该发明的方法获得的产品。
• PROCESS FOR THE CYCLOADDITION OF A HALOGENATED 1,3-DIPOLE COMPOUND WITH A (HETERO)CYCLOALKYNE
  申请人：SYNAFFIX B.V.

  公开号：US20170008858A1

  公开（公告）日：2017-01-12

  The present invention relates to a cycloaddition process comprising the step of reacting a halogenated aliphatic 1,3-dipole compound with a (hetero)cycloalkyne according to Formula (1): Preferably, the (hetero)cycloalkyne according to Formula (1) is a (hetero)cyclooctyne. The invention also relates to the cycloaddition products obtainable by the process according to the invention. The invention further relates to halogenated aliphatic 1,3-dipole compounds, in particular to halogenated aliphatic 1,3-dipole compounds comprising N-acetylgalactosamine-UDP (GalNAc-UDP), and to halogenated 1,3-dipole compounds comprising (peracylated) N-acetylglucosamine (GlcNAc), N-acetylgalactosamine (GalNAc), N-acetylmannosamine (ManNAc) and N-acetyl neuraminic acid (NeuNAc).

  本发明涉及一种环加成过程，包括以下步骤：将卤代脂肪1,3-二极化合物与根据式（1）的（杂）环烷炔发生反应。优选，根据式（1）的（杂）环烷炔是（杂）环辛炔。本发明还涉及根据本发明的过程获得的环加成产物。本发明还涉及卤代脂肪1,3-二极化合物，特别是包含N-乙酰半乳糖氨基葡萄糖醛酸-UDP（GalNAc-UDP）的卤代脂肪1,3-二极化合物，以及包含（过酰化的）N-乙酰葡萄糖胺（GlcNAc）、N-乙酰半乳糖氨基（GalNAc）、N-乙酰甘露糖氨基（ManNAc）和N-乙酰神经酸（NeuNAc）的卤代1,3-二极化合物。