3-(Dimethylamino)-2H-chromen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(Dimethylamino)-2H-chromen-2-one
• 英文别名: 3-(dimethylamino)chromen-2-one
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.21
• InChiKey: VCQPHZSXAHONHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  水杨醛 、 甜菜碱 、 乙酸酐 生成 3-(Dimethylamino)-2H-chromen-2-one
  参考文献：
  名称：

  HRNCIAR, PAVOL;GAPLOVSKY, ANTON;DONOVALOVA, JANA, TETRAHEDRON LETT., 30,(1989) N3, C. 1709-1710

  摘要：

  DOI：

文献信息

• [EN] 1,4,7,10-TETRAZACYCLODODECANE BASED AGENTS TO TARGET BACTERIA AND ITS USE<br/>[FR] AGENTS À BASE DE 1,4,7,10-TÉTRAZACYCLODODÉCANE POUR CIBLER DES BACTÉRIES ET LEURS UTILISATIONS
  申请人：HELMHOLTZ ZENTRUM FÜR INFEKTIONSFORSCHUNG GMBH

  公开号：WO2016026841A1

  公开（公告）日：2016-02-25

  The present invention relates to new compounds comprising a siderophore moiety as well as a core structure able to chelate a metal ion. Optionally, the compounds may have additionally a moiety with a functional element including a marker molecule, a bioactive agent, an activity based probe suitable to monitor the aberrant expression or activity of proteins involved in the initiation and progression of bacterial infection, or a compound useful for bacterial inhibition. In a further aspect, the present invention provides a pharmaceutical composition containing said compound, for example, said pharmaceutical composition is an antibiotic. Additionally, the present invention relates to the use of said compounds in diagnostic methods, in particular, imaging methods including SPEC, PET or MRI. In an embodiment of the present invention, the compound is part of a theranostic composition having both, therapeutic as well as diagnostic activities.

  本发明涉及包含一种铁载体基团以及能够螯合金属离子的核心结构的新化合物。选项地，这些化合物可能还具有包含标记分子、生物活性物质、适用于监测参与细菌感染起始和进展的蛋白质异常表达或活性的活性探针，或者适用于细菌抑制的功能元素的基团。此外，本发明还提供含有所述化合物的药物组合物，例如，所述药物组合物是抗生素。此外，本发明还涉及在诊断方法中使用所述化合物，特别是包括SPEC、PET或MRI的成像方法。在本发明的一个实施例中，该化合物是一种具有治疗和诊断活性的治疗组合物的一部分。
• Caspase-1 imaging probes
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP2848696A1

  公开（公告）日：2015-03-18

  The present invention relates to molecular probes of the formula (I) as defined herein that allow for the observation of the catalytic activity capase-1 in in vitro assays, in cells or in multicellular organisms, and the use thereof in medicine.

  本发明涉及分子探针的公式(I)，如本文所定义，该探针允许在体外实验、细胞或多细胞生物体中观察卡泊酶-1的催化活性，并将其用于医学。
• [EN] DOTAM DERIVATIVES FOR THERAPEUTIC USE<br/>[FR] DÉRIVÉS DE DOTAM À USAGE THÉRAPEUTIQUE
  申请人：SANOFI SA

  公开号：WO2015075699A1

  公开（公告）日：2015-05-28

  The present invention relates to A compound of the formula I, in any of their stereoisomeric forms or a mixture of stereoisomeric forms in any ratio, and the pharmaceutically acceptable salts thereof, (I) wherein M is absent or present and a positively charged metal ion out of the group Gd, Yb, Mn, Cr, Cu, Fe, Pr, Nd, Sm, Tb, Yb, Dy, Ho, Er, Eu, Ga, 68Ga, 64Cu, 99mTc, 177Lu, 67Ga, 111In, 99Mo; and A1, A2, A3 and A4; L1, L2, L3 and L4; Y1, Y2, Y3 and Y4; Z1, Z2, Z3 and Z4 have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds and are suitable for the treatment of osteoarthritis. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及公式I的化合物，其具有任何立体异构形式或任何比例的立体异构形式的混合物，以及其药学上可接受的盐，其中M不存在或存在，并且是来自组Gd、Yb、Mn、Cr、Cu、Fe、Pr、Nd、Sm、Tb、Yb、Dy、Ho、Er、Eu、Ga、68Ga、64Cu、99mTc、177Lu、67Ga、111In、99Mo中的一种正电荷金属离子；以及A1、A2、A3和A4；L1、L2、L3和L4；Y1、Y2、Y3和Y4；Z1、Z2、Z3和Z4在索权中指示的含义。公式I的化合物是有价值的药理活性化合物，适用于治疗骨关节炎。此外，该发明还涉及公式I的化合物的制备方法，它们作为药物的用途，以及包含它们的药物组合物。
• 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。
• Labelling of fusion proteins with synthetic probes
  申请人：EPFL Ecole Polytechnique Fédérale de Lausanne

  公开号：EP1882688A1

  公开（公告）日：2008-01-30

  The invention relates to new proteins called alkylcytosine transferases (ACTs) derived from O6-alkylguanine-DNA alkyltransferase, and to substrates for ACTs specifically transferring a label to these ACTs and to fusion proteins comprising these. The substrates according of the invention are substituted cytosines of formula (I) wherein R1 is an aromatic or a heteroaromatic group, or an optionally substituted unsaturated alkyl, cycloalkyl or heterocyclyl group with the double bond connected to OCH2-; R2 is a linker; and L is a label or a plurality of same or different labels. The invention further relates to methods of transferring label L from these substrates of formula (I) to ACTs and ACT fusion proteins. The system of ACT - compound of formula (I) is particularly suitable for double labelling studies together with the known system O6-alkylguanine-DNA alkyltransferase (AGT) - benzylguanines.

  本发明涉及一种新的蛋白质，称为烷基胞嘧啶转移酶（ACTs），它们源自O6-烷基鸟嘌呤-DNA烷基转移酶，并涉及将标记转移给这些ACTs的底物以及包含这些底物的融合蛋白质。本发明的底物是式（I）的取代胞嘧啶，其中R1是芳香或杂芳基团，或者是一个具有双键连接到OCH2-的可选取代的不饱和烷基、环烷基或杂环烷基团；R2是连接基；L是一个标记或多个相同或不同的标记。本发明还涉及将标记L从式（I）的这些底物转移到ACTs和ACT融合蛋白质的方法。ACT-式（I）化合物系统特别适用于与已知的O6-烷基鸟嘌呤-DNA烷基转移酶（AGT）-苄基鸟嘌呤一起进行双重标记研究。