tert-butyl 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate | 1534377-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
• 英文别名: tert-butyl 4-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
• CAS: 1534377-96-2
• 化学式: C₂₁H₃₂BFN₂O₄
• 分子量: 406.305
• InChiKey: ZMJXRLZLWIZSGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  51.24
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 6-bromo-4-(3-fluoro-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)quinazoline
  参考文献：
  名称：

  SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF

  摘要：

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecule compounds having a 6,6-heterocyclic structure (e.g., compounds having a naphthyridine, pyrido-pyridazine, pyrido-pyrazine, quinoline, pyrazino-pyridazine, pyrimido-pyrimidine, quinazoline, quinoxaline or cinnoline ring system) which function as inhibitors of DYRK1A, DYRK1B, DYRK2, DYRK3, CLK1, CLK2, CLK3, CLK4, CDK7, CDK8/19, PI3K, PDGFrA/B, mTOR, WNT, homeodomain-interacting kinases (HIPKs), and/or CMGC kinases leading to inhibition of WNT signaling, and their use as therapeutics for the treatment of Alzheimer's disease, down syndrome, Parkinson's disease, Huntington's disease, diabetes, autoimmune diseases, inflammatory disorders (e.g., airway inflammation, osteoarthritis (e.g., knee related osteoarthritis)), cancer (e.g., glioblastoma, prostate cancer, metastatic breast cancer, metastatic lung cancer, multiple myeloma, secondary metastatic tumors of the brain, colorectal cancer and metastatic colorectal cancer (e.g., metastatic colorectal cancer in the liver)), and other diseases.

  公开号：

  WO2023250082A2
• 作为产物：
  描述：

  N-Boc-哌嗪 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium acetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 甲苯 为溶剂， 生成 tert-butyl 4-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRAZOLYL PIPERIDINE CARBOXYLIC ACIDS
  [FR] ACIDES PYRAZOLYLPIPÉRIDINE CARBOXYLIQUES SUBSTITUÉS

  摘要：

  本发明涉及取代的吡唑啉哌啶羧酸、其盐以及其制备方法，以及它们用于制备治疗和/或预防疾病的药物，特别是心血管和心脏疾病，优选为降低和保留射血分数的心力衰竭（HFrEF，HFmrEF和HFpEF）、高血压（HTN）、周围动脉疾病（PAD，PAOD）、心肾和肾脏疾病，优选为慢性和糖尿病性肾脏疾病（CKD和DKD）、心肺和肺部疾病，优选为肺动脉高压（PH），以及其他疾病，优选为神经退行性疾病和不同形式的痴呆症、纤维性疾病、系统性硬化（SSc）、镰状细胞病（SCD）、创伤愈合障碍，如糖尿病足溃疡（DFU）。

  公开号：

  WO2022122916A1

文献信息

• [EN] PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLO[3,2-C]PYRIDINE COMME INHIBITEURS DE TLR
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2015088045A1

  公开（公告）日：2015-06-18

  The present invention provides a heterocyclic compound having a TLR7, TLR9, TLR7/8, TLR7/9 or TLR7/8/9 inhibitory action, which is useful as an agent for the prophylaxis or treatment of autoimmune diseases, inflammatory diseases and the like, in particular, systemic lupus erythematosus, Sjogren's syndrome, rheumatoid arthritis, psoriasis, inflammatory bowel disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

  本发明提供了一种具有TLR7、TLR9、TLR7/8、TLR7/9或TLR7/8/9抑制作用的杂环化合物，该化合物可用作自身免疫性疾病、炎症性疾病等的预防或治疗剂，特别是系统性红斑狼疮、干燥综合征、类风湿关节炎、牛皮癣、炎症性肠病等。本发明是由式（1）表示的化合物：其中每个符号如说明书中所述，或其盐。
• PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20170008885A1

  公开（公告）日：2017-01-12

  The present invention provides a heterocyclic compound having a TLR7, TLR9, TLR7/8, TLR7/9 or TLR7/8/9 inhibitory action, which is useful as an agent for the prophylaxis or treatment of autoimmune diseases, inflammatory diseases and the like, in particular, systemic lupus erythematosus, Sjogren's syndrome, rheumatoid arthritis, psoriasis, inflammatory bowel disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

  本发明提供了一种具有TLR7、TLR9、TLR7/8、TLR7/9或TLR7/8/9抑制作用的杂环化合物，该化合物可用作自身免疫性疾病、炎症性疾病等的预防或治疗剂，特别是系统性红斑狼疮、干燥综合征、类风湿关节炎、牛皮癣、炎症性肠病等。本发明是由式（1）表示的化合物，其中每个符号如说明书中所述，或其盐。
• [EN] 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 3-(PYRAZOLYL)-1H-PYRROLO[2,3-B]PYRIDINE EN TANT QU'INHIBITEURS DE KINASE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014006554A1

  公开（公告）日：2014-01-09

  The present application relates to novel 3-(pyrazolyl)-lH-pyrrolo[2,3-b]pyridine derivatives of formula (I), as protein kinase inhibitors. The invention particularly relates to compounds of formula (I), preparation of compounds and pharmaceutical compositions thereof. The invention further relates to pharmaceutically acceptable salts and compositions comprising the said novel 3-(pyrazolyl)-lH-pyrrolo[2,3-b]pyridine derivatives and their use in the treatment of various disorders.

  本申请涉及一种新型的3-(吡唑基)-lH-吡咯并[2,3-b]吡啶衍生物，其化学式为(I)，作为蛋白激酶抑制剂。该发明特别涉及化合物的化学式(I)、化合物的制备以及其药物组成。该发明还涉及药用可接受的盐和组合物，包括所述新型的3-(吡唑基)-lH-吡咯并[2,3-b]吡啶衍生物及其在治疗各种疾病中的应用。
• Ligand-Enabled, Iridium-Catalyzed <i>ortho</i>-Borylation of Fluoroarenes
  作者：Olena Kuleshova、Sobi Asako、Laurean Ilies

  DOI：10.1021/acscatal.1c01206

  日期：2021.5.21

  borylation of a stoichiometric amount of a fluoroarene with high ortho-selectivity and tolerance of functional groups such as bromide, chloride, ester, ketone, amine, and in situ-borylated hydroxyl. Complex drug molecules such as haloperidol can be selectively borylated ortho to the F atom. The terpyridine ligand undergoes rollover cyclometalation to produce an N,N,C-coordinated iridium complex, which may

  叔吡啶衍生物和铱络合物催化化学计算量的氟代芳烃的C–H硼化，具有较高的邻位选择性和对官能团（如溴化物，氯化物，酯，酮，胺和原位硼酸化的羟基）的耐受性。可以将复杂的药物分子（如氟哌啶醇）选择性地硼化到F原子的邻位。联吡啶配体经历侧翻环金属化以生成N，N，C配位的铱络合物，该络合物既可以选择性地使氟代芳烃硼化，也可以进行还原消除以生成硼化的配体。
• A concise method for fully automated radiosyntheses of [¹⁸F]JNJ-46356479 and [¹⁸F]FITM <i>via</i> Cu-mediated ¹⁸F-fluorination of organoboranes
  作者：Gengyang Yuan、Timothy M. Shoup、Sung-Hyun Moon、Anna-Liisa Brownell

  DOI：10.1039/d0ra04943c

  日期：——

  A modified alcohol-enhanced ¹⁸F-fluorodeboronation has been developed for the radiosyntheses of [¹⁸F]JNJ-46356479 and [¹⁸F]FITM.

  已开发出一种改进的醇增强¹⁸F-氟去硼化法，用于合成[¹⁸F]JNJ-46356479和[¹⁸F]FITM的放射性同位素。