2-[[6-(氯甲基)吡啶-2-基]甲基]异吲哚-1,3-二酮 | 628308-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 2-[[6-(氯甲基)吡啶-2-基]甲基]异吲哚-1,3-二酮
• 英文名称: 2-{[6-(chloromethyl)pyridin-2-yl]methyl}isoindoline-1,3-dione
• 英文别名: 2-((6-(chloromethyl)pyridin-2-yl)methyl)isolndoline-1,3-dione；N-[(6-chloromethyl-2-pyridyl)methyl]phthalimide；2-{[6-(chloromethyl)pyridin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione；1H-Isoindole-1,3(2H)-dione, 2-[[6-(chloromethyl)-2-pyridinyl]methyl]-；2-[[6-(chloromethyl)pyridin-2-yl]methyl]isoindole-1,3-dione
• CAS: 628308-52-1
• 化学式: C₁₅H₁₁ClN₂O₂
• 分子量: 286.718
• InChiKey: TUIUWOKXRRHHPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  50.3
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2-[[6-(氯甲基)吡啶-2-基]甲基]异吲哚-1,3-二酮 在 一水合肼 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 47.0h， 生成 6,6'-[naphtho[1,2-e:5,6-e]bis([1,3]oxazine)-3,9(2H,4H,8H,10H)-diylbis(methylene)]bis{2-[(diphenylphosphoryl)methyl]pyridine 1-oxide}
  参考文献：
  名称：

  不对称（膦酰基甲基吡啶N-氧化物）甲胺平台的合成和选择性反应性研究

  摘要：

  有效合成前体分子，2-{6-[((diphenylphosphoryl)methyl)pyridin-2-yl]methyl}isoindoline-1,3-dione (2), 2-[(1,3-dioxoisoindolin-2-基）甲基]-6-[（二苯基磷酰基）甲基]吡啶 1-氧化物（3）和它们的 6-[双（2-（三氟甲基）苯基）磷酰基]甲基类似物以及它们向不对称配体的转化， [(6-(氨基甲基)吡啶-2-基)甲基]二苯基氧化膦(4)、2-(氨基甲基)-6-[(二苯基磷酰基)甲基]吡啶1-氧化物(5)和2-(氨基甲基)-6 -{[双(2-(三氟甲基)苯基)磷酰基]甲基}吡啶1-氧化物(5-F)。描述了 4 和 5 的氨甲基取代基的选择性反应性，以及几种化合物与镧系元素 (III) 离子的络合反应。三种独特的不同复合物的分子结构，{Pr{2-[HC(O)N(H)CH2]-6-[Ph2P(

  DOI：

  10.1002/ejoc.201400120
• 作为产物：
  描述：

  2,6-吡啶二甲醇 在 氯化亚砜 作用下， 生成 2-[[6-(氯甲基)吡啶-2-基]甲基]异吲哚-1,3-二酮
  参考文献：
  名称：

  Toward Protein-Cleaving Catalytic Drugs: Artificial Protease Selective for Myoglobin

  摘要：

  A protein-cleaving catalyst highly selective for a disease-related protein can be used as a catalytic drug. As the first protein-cleaving catalyst selective for a protein substrate, a catalyst for myoglobin (Mb) was designed by attaching the Cu(II) or Co(III) complex of cyclen to a binding site searched by a combinatorial method using peptide nucleic acid monomers as building units. Various linkers were inserted between the catalytic Co(III) center and the binding site of the Mb-cleaving catalyst. Kinetic data revealed catalytic turnover of the Mb cleavage by the Cu(II) or Co(III) complex. MALDI-TOF MS revealed cleavage of the polypeptide backbone of Mb at selected positions. N-Terminal sequencing of the cleavage products identified the cleavage site and provided evidence for the hydrolytic nature of the Mb cleavage. Various chelating ligands were tested as the ligand for the Co(III) center of the Mb-cleaving catalyst. Among the nine chelating ligands examined, only cyclen and its triaza-monooxo analogue manifested catalytic activity. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00216-5

文献信息

• [EN] AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS<br/>[FR] AZOLOPYRIMIDINE POUR LE TRAITEMENT DE TROUBLES LIÉS AU CANCER
  申请人：ARCUS BIOSCIENCES INC

  公开号：WO2018136700A1

  公开（公告）日：2018-07-26

  Compound that is an inhibitor of at least one of the A2A and A2B adenosine receptors, and compositions containing the compound and methods for synthesizing the compound, are described herein. The use of such compound and compositions for the treatment of a diverse array of diseases, disorders, and conditions, including cancer- and immune-related disorders that are mediated, at least in part, by the adenosine A2A receptor and/or the adenosine A2B receptor.

  本文描述了一种至少抑制A2A和A2B腺苷受体中至少一种的化合物，以及含有该化合物的组合物和合成该化合物的方法。利用这种化合物和组合物治疗各种疾病、紊乱和病况，包括至少部分由腺苷A2A受体和/或腺苷A2B受体介导的癌症和免疫相关紊乱。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：UNIV OSLO

  公开号：WO2018033719A1

  公开（公告）日：2018-02-22

  The invention provides compounds for use in a method of treating and/or preventing a bacterial infection in a human or non-human mammal, said method comprising administration of said compound in combination with (either simultaneously, separately, or sequentially) a β-lactam antibiotic, wherein said compound has the general formula I: (I) (wherein: Q is a lipophilic, zinc chelating moiety which is selective for Zn2+ ions and which comprises at least one, preferably two or more (e.g 2, 3 or 4), optionally substituted, unsaturated heterocyclic rings, e.g. 5 or 6-membered heterocyclic rings (such rings preferably include at least one heteroatom selected from N, S and O, preferably N); wherein any optional substituents may be selected from C1-6 alkyl, C1-6 alkoxy, halogen, nitro, cyano, amine, and substituted amine; each L, which may be the same or different, is a covalent bond or a linker; each W, which may be the same or different, is a non-peptidic hydrophilic group which comprises one or more hydroxy groups; and x is an integer from 1 to 3) or a stereoisomer, pharmaceutically acceptable salt or prodrug thereof.

  该发明提供了一种化合物，用于治疗和/或预防人类或非人哺乳动物体内的细菌感染，所述方法包括将该化合物与β-内酰胺类抗生素（可以同时、分开或顺序地）结合给药，其中所述化合物具有一般式I：（I）（其中：Q是一个亲脂性、选择性结合Zn2+离子的基团，包括至少一个，最好是两个或更多（例如2、3或4个），可选择地取代的不饱和杂环环，例如5或6元杂环环（这些环最好包括至少一个从N、S和O中选择的杂原子，最好是N）；其中任何可选择的取代基可以选择自C1-6烷基、C1-6烷氧基、卤素、硝基、氰基、胺和取代胺；每个L，可以相同也可以不同，是一个共价键或一个连接基；每个W，可以相同也可以不同，是一个非肽性亲水基团，包括一个或多个羟基；x是1到3之间的整数）或其立体异构体、药学上可接受的盐或前药。
• Design and Synthesis of a Ratiometric Photoacoustic Probe for In Situ Imaging of Zinc Ions in Deep Tissue In Vivo
  作者：Chaobang Zhang、Rongkang Gao、Liangliang Zhang、Chengbo Liu、Zhengmin Yang、Shulin Zhao

  DOI：10.1021/acs.analchem.9b05431

  日期：2020.5.5

  diseases. Therefore, it is critically important to accurately image the steady-state changes of Zn2+ in vivo. However, no PA imaging method is currently available for Zn2+. To this end, we designed and synthesized the first PA probe of Zn2+, namely, CR-1 for in situ ratiometric imaging of Zn2+ in deep tissue in vivo. The CR-1molecule, combined with Zn2+, weakened the conjugation system of the π-electron

  作为一种非侵入性的深层组织成像技术，光声（PA）成像在生物医学和分子诊断中具有巨大的应用潜力。锌离子（Zn2 +）是人体必需的金属离子，在调节基因转录和金属酶功能中起着非常重要的作用。Zn 2+稳态的失衡也与多种神经系统疾病有关。因此，准确地成像体内Zn2 +的稳态变化至关重要。但是，目前尚无用于Zn2 +的PA成像方法。为此，我们设计并合成了首个Zn2 +的PA探针，即CR-1，用于体内深层组织中Zn2 +的原位比例成像。CR-1分子与Zn2 +结合会削弱CR-1分子中π电子的共轭体系，导致其吸收峰从710 nm蓝移至532 nm。PA信号强度在710 nm处下降，而在532 nm处增加，并且这两个波长下的比例PA信号（PA532 / PA710）与Zn2 +的浓度在0-50μM范围内表现出良好的线性关系，并且可以检测到极限低至170 nM。此外，该探针表现出极快的响应性，高选择性和极好
• FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES
  申请人：Beier Christian

  公开号：US20110105566A1

  公开（公告）日：2011-05-05

  The present invention relates to hydroximoyl-tetrazole derivatives, their process of preparation, preparation intermediate compounds, their use as fungicide active agents, particularly in the form of fungicide compositions and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及羟肟基-四唑衍生物、其制备过程、制备中间体化合物、其作为杀真菌活性剂的用途，特别是作为杀真菌组合物的形式和使用这些化合物或组合物控制植物病原真菌的方法。
• Fungicide hydroximoyl-tetrazole derivatives
  申请人：Beier Christian

  公开号：US08466176B2

  公开（公告）日：2013-06-18

  The present invention relates to hydroximoyl-tetrazole derivatives, their process of preparation, preparation intermediate compounds, their use as fungicide active agents, particularly in the form of fungicide compositions and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及羟肟基四唑衍生物，其制备方法，制备中间体化合物，其作为杀菌剂活性剂的用途，特别是以杀菌剂组合物的形式和使用这些化合物或组合物控制植物病原真菌的方法。