Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate | 523992-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate
• 英文别名: methyl 2-(1-(benzo[d]thiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl)acetate
• CAS: 523992-06-5
• 化学式: C₁₃H₁₁N₃O₃S
• mdl: MFCD03488909
• 分子量: 289.315
• InChiKey: YPKXMSZQYRTVNO-UHFFFAOYSA-N

物化性质

• 沸点：
  515.5±58.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  77.24
• 氢给体数：
  1.0
• 氢受体数：
  7.0

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934200090

反应信息

• 作为反应物：
  描述：

  Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate 在 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 (E)-methyl 2-(1-(benzo[d]thiazol-2-yl)-4-(1-(furan-2-ylmethylamino)ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
  参考文献：
  名称：

  [EN] BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV
  [FR] DÉRIVÉS PYRAZOLE CONDENSÉS BICYCLIQUES POUR LE TRAITEMENT DE RSV

  摘要：

  本公开涉及用于治疗或抑制RSV及其相关的肺炎病毒和副粘病毒家族成员，如人类副流感病毒、腮腺病毒、人类副流感病毒和尼帕病毒和亨德拉病毒的化合物和组合物，以及其治疗或预防方法。

  公开号：

  WO2017196982A1
• 作为产物：
  描述：

  1,3-丙酮二羧酸二甲酯 、 2-肼基苯并噻唑 以 甲苯 为溶剂， 以97%的产率得到Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate
  参考文献：
  名称：

  [EN] BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV
  [FR] DÉRIVÉS PYRAZOLE CONDENSÉS BICYCLIQUES POUR LE TRAITEMENT DE RSV

  摘要：

  本公开涉及用于治疗或抑制RSV及其相关的肺炎病毒和副粘病毒家族成员，如人类副流感病毒、腮腺病毒、人类副流感病毒和尼帕病毒和亨德拉病毒的化合物和组合物，以及其治疗或预防方法。

  公开号：

  WO2017196982A1

文献信息

• Bicyclic fused pyrazole derivatives for the treatment of RSV
  申请人：GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US10906899B2

  公开（公告）日：2021-02-02

  Disclosed herein are compounds and compositions for treating or inhibiting RSV and related members of the pneumovirus and paramyxovirus families such as human metapneumovirus, mumps virus, human parainfluenzaviruses, and Nipah and hendra virus, and methods of treatment or prevention thereof.

  本文公开了用于治疗或抑制 RSV 以及肺炎病毒科和副粘病毒科相关成员（如人类偏肺病毒、腮腺炎病毒、人类副流感病毒、尼帕病毒和亨德拉病毒）的化合物和组合物，以及治疗或预防方法。
• BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV
  申请人：GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US20190144441A1

  公开（公告）日：2019-05-16

  Disclosed herein are compounds and compositions for treating or inhibiting RSV and related members of the pneumovirus and paramyxovirus families such as human metapneumovirus, mumps virus, human parainfluenzaviruses, and Nipah and hendra virus, and methods of treatment or prevention thereof.
• WO2023/18560
  申请人：——

  公开号：——

  公开（公告）日：——
• First in Class, Potent, and Orally Bioavailable NADPH Oxidase Isoform 4 (Nox4) Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis
  作者：Benoı̂t Laleu、Francesca Gaggini、Mike Orchard、Laetitia Fioraso-Cartier、Laurène Cagnon、Sophie Houngninou-Molango、Angelo Gradia、Guillaume Duboux、Cédric Merlot、Freddy Heitz、Cédric Szyndralewiez、Patrick Page

  DOI：10.1021/jm100773e

  日期：2010.11.11

  We describe the design, synthesis, and optimization of first-in-class series of inhibitors of NADPH oxidase isoform 4 (Nox4), an enzyme implicated in several pathologies, in particular idiopathic pulmonary fibrosis, a life-threatening and orphan disease. Initially, several moderately potent pyrazolopyridine dione derivatives were found during a high-throughput screening campaign. SA R investigation around the pyrazolopyridine dione core led to the discovery of several double-digit nanomolar inhibitors in cell free assays of reactive oxygen species (ROS) production, showing high potency on Nox4 and Nox1. The compounds have little affinity for Nox2 isoform and are selective for Nox4/1 isoforms. The specificity of these compounds was confirmed in an extensive in vitro pharmacological profile, as well as in a counterscreening assay for potential ROS scavenging. Concomitant benefits are good oral bioavailability and high plasma concentrations in vivo, allowing further clinical trials for the potential treatment of fibrotic diseases, cancers, and cardiovascular and metabolic diseases.
• [EN] BICYCLIC FUSED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF RSV<br/>[FR] DÉRIVÉS PYRAZOLE CONDENSÉS BICYCLIQUES POUR LE TRAITEMENT DE RSV
  申请人：UNIV GEORGIA STATE RES FOUND

  公开号：WO2017196982A1

  公开（公告）日：2017-11-16

  Disclosed herein are compounds and compositions for treating or inhibiting RSV and related members of the pneumovirus and paramyxovirus families such as human metapneumovirus, mumps virus, human parainfluenzaviruses, and Nipah and hendra virus, and methods of treatment or prevention thereof.

  本公开涉及用于治疗或抑制RSV及其相关的肺炎病毒和副粘病毒家族成员，如人类副流感病毒、腮腺病毒、人类副流感病毒和尼帕病毒和亨德拉病毒的化合物和组合物，以及其治疗或预防方法。