4-碘甲基吡啶 | 138761-37-2

• 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
• 中文名称: 4-碘甲基吡啶
• 英文名称: 4-(iodomethyl)pyridine
• CAS: 138761-37-2
• 化学式: C₆H₆IN
• 分子量: 219.025
• InChiKey: KQLHSXTTZXUVCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-碘甲基吡啶 在 N-甲基吗啉 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 2-Chloro-1,3-dimethylimidazolidinium hexafluorophosphate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Potent and selective 2-naphthylsulfonamide substituted hydroxamic acid inhibitors of matrix metalloproteinase-13

  摘要：

  The matrix metalloproteinase enzyme MMP-13 plays a key role in the degradation of type II collagen in cartilage and bone in osteoarthritis (OA). An effective MMP-13 inhibitor would provide a disease modifying therapy for the treatment of arthritis, although this goal still continues to elude the pharmaceutical industry due to issues with safety. Our efforts have resulted in the discovery of a series of hydroxamic acid inhibitors of MMP-13 that do not significantly inhibit MMP-2 (gelatinase-1). MMP-2 has been implicated in the musculoskeletal side effects resulting from pan-MMP inhibition due to findings from spontaneously occurring human MMP-2 deletions. Analysis of the SAR of hundreds of previously prepared hydroxamate based MMP inhibitors lead us to 2-naphthylsulfonamide substituted hydroxamates which exhibited modest selectivity for MMP-13 versus MMP-2. This Letter describes the lead optimization of 1 and identification of inhibitors exhibiting >100-fold selectivity for MMP-13 over MMP-2 (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.087
• 作为产物：
  描述：

  4-吡啶甲醇 在 三氟化硼乙醚 、 cesium iodide 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以85%的产率得到4-碘甲基吡啶
  参考文献：
  名称：

  An Alternative Method for the Highly Selective Iodination of Alcohols Using a CsI/BF₃·Et₂O System

  摘要：

  A variety of allylic and benzylic alcohols have been converted into the corresponding iodides using cesium iodide (CsI) in the presence of boron trifluoride etherate (BF3.Et2O) in acetonitrile under mild conditions.

  DOI：

  10.1081/scc-120021844

文献信息

• Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides
  作者：Bohdan Waszkowycz、Kate M. Smith、Alison E. McGonagle、Allan M. Jordan、Ben Acton、Emma E. Fairweather、Louise A. Griffiths、Niall M. Hamilton、Nicola S. Hamilton、James R. Hitchin、Colin P. Hutton、Dominic I. James、Clifford D. Jones、Stuart Jones、Daniel P. Mould、Helen F. Small、Alexandra I. J. Stowell、Julie A. Tucker、Ian D. Waddell、Donald J. Ogilvie

  DOI：10.1021/acs.jmedchem.8b01407

  日期：2018.12.13

  DNA damage repair enzymes are promising targets in the development of new therapeutic agents for a wide range of cancers and potentially other diseases. The enzyme poly(ADP-ribose) glycohydrolase (PARG) plays a pivotal role in the regulation of DNA repair mechanisms; however, the lack of potent drug-like inhibitors for use in cellular and in vivo models has limited the investigation of its potential

  DNA损伤修复酶是开发用于多种癌症和其他潜在疾病的新型治疗剂的有希望的目标。聚（ADP-核糖）糖水解酶（PARG）在调节DNA修复机制中起着关键作用。然而，由于缺乏用于细胞和体内模型的有效药物样抑制剂，限制了其作为新型治疗靶标的潜力的研究。通过将人类PARG的晶体结构与弱活性和具有细胞毒性的蒽醌8a配合使用，已通过基于结构的虚拟筛选和库设计方法鉴定了新型喹唑啉二酮磺酰胺类PARG抑制剂。1-氧杂-3-基甲基衍生物33d和35d选择用于体内的初步研究。X射线晶体结构有助于合理化所观察到的这些新型抑制剂的构效关系。
• [EN] SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF<br/>[FR] ANTAGONISTES À PETITES MOLÉCULES DE LA MODIFICATION LIÉE AU SUMO DE CRMP2 ET LEURS UTILISATIONS
  申请人：UNIV ARIZONA

  公开号：WO2018144900A1

  公开（公告）日：2018-08-09

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having a piperidinyl-benzoimidazole structure which function as antagonists of small ubiquitin like modifier (SUMO) related modification (SUMOylation) of collapsin response mediator protein 2 (CRMP2), and their use as therapeutics for the treatment of voltage gated sodium channel 1.7 (Nav1.7) related itch, anosmia, migraine event, and/or pain (e.g., neuropathic pain).

  这项发明属于药物化学领域。具体来说，该发明涉及一类具有哌啶基苯并咪唑结构的小分子，其作为小泛素样修饰物（SUMO）相关修饰（SUMOylation）的抗体，用作治疗与电压门控钠通道1.7（Nav1.7）相关的瘙痒、嗅觉丧失、偏头痛事件和/或疼痛（例如，神经病性疼痛）的治疗药物。
• [EN] NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS<br/>[FR] NOUVEAUX CETOAMIDES A P4 CYCLIQUES EN TANT QU'INHIBITEURS DE LA NS3 SERINE PROTEASE DU VIRUS DE L'HEPATITE C
  申请人：SCHERING CORP

  公开号：WO2005085242A1

  公开（公告）日：2005-09-15

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明公开了具有HCV蛋白酶抑制活性的新化合物，以及制备这种化合物的方法。在另一实施方式中，该发明公开了包含这种化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• [EN] SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-c]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS<br/>[FR] DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES SUBSTITUÉES EN TANT QU'INHIBITEURS DE RIPK3
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016100166A1

  公开（公告）日：2016-06-23

  Compounds having Formula (I), and enantiomers, and diastereomers, stereoisomers, pharmaceutically-acceptable salts thereof, are useful as kinase modulators, including RIPK3 modulation. All the variables defined herein.

  具有化学式（I）的化合物，以及其对映体、非对映异构体、立体异构体、以及药用可接受的盐，可用作激酶调节剂，包括RIPK3调节。这里定义的所有变量。
• [EN] INDOLINE AND TETRAHYDROQUINOLINE SULFONYL INHIBITORS OF DIMETALLOENZYMES AND USE OF THE SAME<br/>[FR] INHIBITEURS DE TYPE INDOLINE ET TÉTRAHYDROQUINOLINE SULFONYLE DES DIMÉTALLO-ENZYMES ET LEUR UTILISATION
  申请人：UNIV LOYOLA CHICAGO

  公开号：WO2017011408A1

  公开（公告）日：2017-01-19

  Indoline and tetrahydroquinoline sulfonyl compounds that can inhibit DapE and/or bacterial metallo-β-lactamases ("MBLs"), such as NDM-1 are disclosed. Also disclosed are methods of treating an individual suffering from a bacterial infection using the compounds disclosed herein.

  揭示了可以抑制DapE和/或细菌金属β-内酰胺酶（“MBLs”）如NDM-1的吲哚啉和四氢喹啉磺酰化合物。还公开了使用此处披露的化合物治疗患有细菌感染的个体的方法。

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