1-(pyridin-4-yl)ethyl methane sulfonate

• 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
• 英文名称: 1-(pyridin-4-yl)ethyl methane sulfonate
• 英文别名: 1-Pyridin-4-ylethyl methanesulfonate
• 化学式: C₈H₁₁NO₃S
• 分子量: 201.246
• InChiKey: NDMTYHHSZSTZLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(pyridin-4-yl)ethyl methane sulfonate 、 N-Boc-哌嗪 以 二甲基亚砜 为溶剂， 以163 mg的产率得到tert-butyl 4-(1-(pyridin-4-yl)ethyl)piperazine-1-carboxylate
  参考文献：
  名称：

  Imidazo[4,5-b]pyridine Derivatives As Inhibitors of Aurora Kinases: Lead Optimization Studies toward the Identification of an Orally Bioavailable Preclinical Development Candidate

  摘要：

  Lead optimization studies using 7 as the starting point led to a new class of imidazo[4,5-b]pyridine-based inhibitors of Aurora kinases that possessed the 1-benzylpiperazinyl motif at the 7-position, and displayed favorable in vitro properties. Cocrystallization of Aurora-A with 40c (CCT137444) provided a clear understanding into the interactions of this novel class of inhibitors with the Aurora kinases. Subsequent physicochemical property refinement by the incorporation of solubilizing groups led to the identification of 3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole (51, CCT137690) which is a potent inhibitor of Aurora kinases (Aurora-A IC(50) = 0.015 +/- 0.003 muM, Aurora-B IC(50) = 0.025 muM, Aurora-C IC(50) = 0.019 muM). Compound 51 is highly orally bioavailable, and in in vivo efficacy studies it inhibited the growth of SW620 colon carcinoma xenografts following oral administration with no observed toxicities as defined by body weight loss.

  DOI：

  10.1021/jm100262j
• 作为产物：
  描述：

  1-(4-吡啶基)乙醇 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(pyridin-4-yl)ethyl methane sulfonate
  参考文献：
  名称：

  吲唑衍生物作为野生型和守门突变体中 FGFR4 选择性共价抑制剂的设计、合成和生物学评价

  摘要：

  成纤维细胞生长因子受体4（FGFR4）已被证明是癌症治疗的有效靶点。FGF19/FGFR4 信号传导异常是人类肝细胞癌 (HCC) 的致癌驱动力。FGFR4 看门人突变引起的获得性耐药仍然是 HCC 治疗中尚未解决的临床挑战。在本研究中，设计并合成了一系列1H-吲唑衍生物作为野生型和守门突变体FGFR4的新型不可逆抑制剂。这些新衍生物表现出显着的FGFR4抑制和抗肿瘤活性，其中化合物27i被证明是最有效的化合物（FGFR4 IC 50  = 2.4 nM）。值得注意的是，化合物27i在 1 μM 浓度下对一组 381 种激酶没有表现出活性。此外，化合物27i对 huh7 (IC 50  = 21 nM) 和两种突变细胞系 BaF3/ETV6-FGFR4-V550L 和 BaF3/ETV6-FGFR4-N535K (IC 50  = 2.5/171 nM)显示纳摩尔 IC 50 s。同时，化

  DOI：

  10.1016/j.ejmech.2023.115628

文献信息

• [EN] FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS<br/>[FR] INDOLES FONCTIONNALISÉS ET SUBSTITUÉS UTILISÉS EN TANT QU'AGENTS ANTI-CANCÉREUX
  申请人：NOVOGEN LTD

  公开号：WO2015074123A1

  公开（公告）日：2015-05-28

  The present invention relates to anti-tropomyosin compounds, processes for their preparation, and methods for treating or preventing a proliferative disease, preferably cancer, using compounds of the invention.

  本发明涉及抗肌球蛋白化合物，其制备方法，以及利用本发明的化合物治疗或预防增殖性疾病，优选癌症的方法。
• [EN] BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS BICYCLIQUES HÉTÉROCYCLIQUES COMME INHIBITEURS DE BROMODOMAINES
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015104653A1

  公开（公告）日：2015-07-16

  The present invention provides bicyclic heterocyclic derivatives of formula (I), which may be therapeutically useful, more particularly as bromodomain inhibitors; (I), in which R1, R2, R3, R4, L1, L2, Cy1, Cy2, X, n and dotted line are have the same meaning given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention of diseases or disorder, in particular their use in diseases or disorder associated as bromodomain inhibitors. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of bicyclic heterocyclic derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了公式（I）的双环杂环衍生物，可能在治疗上有用，更具体地作为溴结构域抑制剂；其中R1、R2、R3、R4、L1、L2、Cy1、Cy2、X、n和虚线在说明书中具有相同的含义，并且其药学上可接受的盐或药学上可接受的立体异构体在治疗和预防疾病或紊乱方面有用，特别是它们在作为溴结构域抑制剂相关的疾病或紊乱中的使用。本发明还提供了该类化合物的制备以及包含至少一种公式（I）的双环杂环衍生物的药物配方，连同药学上可接受的载体、稀释剂或赋形剂。
• BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS
  申请人：ORION CORPORATION

  公开号：US20160368906A1

  公开（公告）日：2016-12-22

  The present disclosure provides bicyclic heterocyclic derivatives of formula (I), which may be therapeutically useful, more particularly as bromodomain inhibitors; (I), in which R 1 , R 2 , R 3 , R 4 , L 1 , L 2 , Cy 1 , Cy 2 , X, n, and dotted line have the same meaning given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in diseases or disorders associated as bromodomain inhibitors. The present disclosure also provides preparation of compounds and pharmaceutical formulations comprising at least one of bicyclic heterocyclic derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent, or excipient.

  本公开提供了公式（I）的双环杂环衍生物，可能在治疗上有用，更具体地作为溴结构域抑制剂；（I）中，R1、R2、R3、R4、L1、L2、Cy1、Cy2、X、n和虚线具有规范中给定的相同含义，以及其在治疗和预防疾病或疾病中有用，特别是在与溴结构域抑制剂相关的疾病或疾病中的使用。本公开还提供了制备化合物和包括至少一种公式（I）的双环杂环衍生物的药物配方，以及药学上可接受的载体、稀释剂或赋形剂。
• SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS
  申请人：Nura Bio, Inc.

  公开号：US20220081417A1

  公开（公告）日：2022-03-17

  This disclosure is drawn to substituted pyridine compounds and compositions, and associated methods, useful for inhibition of SARM1 activity and/or for treating or preventing neurological diseases.

  本公开涉及替代吡啶化合物和组合物，以及相关方法，用于抑制SARM1活性和/或用于治疗或预防神经系统疾病。
• Bicyclic heterocyclic derivatives as bromodomain inhibitors
  申请人：Orion Corporation

  公开号：US10590118B2

  公开（公告）日：2020-03-17

  The present disclosure provides bicyclic heterocyclic derivatives of formula (I), which may be therapeutically useful, more particularly as bromodomain inhibitors; (I), in which R1, R2, R3, R4, L1, L2, Cy1, Cy2, X, n, and dotted line have the same meaning given in the specification, and pharmaceutically acceptable salts or pharmaceutically acceptable stereoisomers thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in diseases or disorders associated as bromodomain inhibitors. The present disclosure also provides preparation of compounds and pharmaceutical formulations comprising at least one of bicyclic heterocyclic derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent, or excipient.

  本公开提供了式(I)的双环杂环衍生物，其可用于治疗，更特别是作为溴结构域抑制剂；(I)中的R1、R2、R3、R4、L1、L2、Cy1、Cy2、X、n和虚线具有说明书中给出的相同含义，以及其药学上可接受的盐或药学上可接受的立体异构体，其可用于治疗和预防疾病或紊乱，特别是其在作为溴结构域抑制剂相关疾病或紊乱中的用途。本公开还提供了包含至少一种式（I）双环杂环衍生物以及药学上可接受的载体、稀释剂或赋形剂的化合物和药物制剂的制备方法。