ethyl 4-(4-bromo-2-(trifluoromethoxy)phenyl)-2,4-dioxobutanoate | 1616930-80-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 4-(4-bromo-2-(trifluoromethoxy)phenyl)-2,4-dioxobutanoate
• 英文别名: Ethyl 4-[4-bromo-2-(trifluoromethoxy)phenyl]-2,4-dioxobutanoate；ethyl 4-[4-bromo-2-(trifluoromethoxy)phenyl]-2,4-dioxobutanoate
• CAS: 1616930-80-3
• 化学式: C₁₃H₁₀BrF₃O₅
• 分子量: 383.119
• InChiKey: QMEMCJVHDBMFHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 4-(4-bromo-2-(trifluoromethoxy)phenyl)-2,4-dioxobutanoate 、 ethyl hydrazine hydrochloride 在 溶剂黄146 作用下， 反应 18.0h， 生成 ethyl 5-(4-bromo-2-(trifluoromethoxy)phenyl)-1-ethyl-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORgT

  摘要：

  本发明涵盖了Formula I的化合物。 其中： R1、R3、R4、R5、R6、R7、R8和Q在规范中有定义。 该发明还涵盖了一种治疗或改善ROR-γ-t介导的综合征、疾病或疾病的方法，包括综合征、疾病或疾病选自类风湿性关节炎、银屑病性关节炎和牛皮癣的群组。该发明还涵盖了通过给哺乳动物施用至少一种Formula I化合物的治疗有效量来调节RORγt活性的方法。

  公开号：

  US20190382349A1

文献信息

• Phenyl substituted pyrazoles as modulators of RORγt
  申请人：Janssen Pharmaceutica NV

  公开号：US10975037B2

  公开（公告）日：2021-04-13

  The present invention comprises compounds of Formula I. wherein: R1, R3, R4, R5, R6, R7, R8, and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-γ-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.

  本发明包括式 I 的化合物。 其中 R1、R3、R4、R5、R6、R7、R8 和 Q 的定义见说明书。 本发明还包括一种治疗或改善 ROR-γ-t 介导的综合征、紊乱或疾病的方法，其中综合征、紊乱或疾病选自由类风湿性关节炎、银屑病关节炎和银屑病组成的组。本发明还包括一种通过施用治疗有效量的至少一种式 I 化合物来调节哺乳动物体内 RORγt 活性的方法。
• PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT
  申请人：Janssen Pharmaceutica NV

  公开号：EP3790865A1

  公开（公告）日：2021-03-17
• US9206136B2
  申请人：——

  公开号：US9206136B2

  公开（公告）日：2015-12-08
• [EN] PYRAZOLYL-BASED CARBOXAMIDES I AS CRAC CHANNEL INHIBITORS<br/>[FR] CARBOXAMIDES I À BASE DE PYRAZOLYL À UTILISER EN TANT QU'INHIBITEURS DU CANAL CRAC
  申请人：GRUENENTHAL GMBH

  公开号：WO2014108337A1

  公开（公告）日：2014-07-17

  The Invention relates to pyrazolyl-based carboxamide compounds of formula (l) useful as ICRAC inhibitors, to pharmaceutical compositions containing these compounds and to these compounds for the use in the treatment and/or prophylaxis of diseases and/or disorders, in particular inflammatory diseases and/or inflammatory disorders.
• [EN] PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT<br/>[FR] PYRAZOLES SUBSTITUÉS PAR PHÉNYLE UTILISÉS EN TANT QUE MODULATEURS DE RORYT
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2019243999A1

  公开（公告）日：2019-12-26

  The present invention comprises compounds of Formula (I). wherein: R1, R3, R4, R5, R6, R7, R8, and Q are defined in the specification. The invention also comprises a method of treating or ameliorating a ROR-y-t mediated syndrome, disorder or disease, including wherein the syndrome, disorder or disease is selected from the group consisting of rheumatoid arthritis, psoriatic arthritis, and psoriasis. The invention also comprises a method of modulating RORĻγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).