isopropyl 2,7,7-trimethyl-5-oxo-4-(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | 1099641-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: isopropyl 2,7,7-trimethyl-5-oxo-4-(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• 英文别名: propan-2-yl 2,7,7-trimethyl-5-oxo-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
• CAS: 1099641-49-2
• 化学式: C₂₆H₂₈F₃N₃O₃
• 分子量: 487.522
• InChiKey: DCDWJMQMEUJZQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  84.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-[4-(三氟甲基)苯基]-1H-吡唑-4-甲醛 、 乙酰乙酸异丙酯 、 5,5-二甲基-1,3-环己二酮 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以78%的产率得到isopropyl 2,7,7-trimethyl-5-oxo-4-(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
  参考文献：
  名称：

  SUBSTITUTED HETEROCYCLIC COMPOUNDS

  摘要：

  本发明涉及新颖的杂环化合物及其在治疗各种疾病状态中的应用，包括心血管疾病和糖尿病。在特定实施例中，化合物的结构由公式（I）给出：其中Q1、Q2、R2、R3、R4、R5和R6如本文所述。该发明还涉及制备这些化合物的方法，以及含有这些化合物的药物组合物。

  公开号：

  US20090012103A1

文献信息

• Substituted heterocyclic compounds
  申请人：Gilead Sciences, Inc.

  公开号：US09045428B2

  公开（公告）日：2015-06-02

  The present invention relates to novel heterocyclic compounds and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula (I): wherein Q1, Q2, R2, R3, R4, R5, and R6 are as described herein. The invention also relates to methods for the preparation of the compounds, and to pharmaceutical compositions containing such compounds.

  本发明涉及新型杂环化合物及其在治疗各种疾病状态中的应用，包括心血管疾病和糖尿病。在特定实施例中，化合物的结构由式（I）给出：其中Q1，Q2，R2，R3，R4，R5和R6如本文所述。本发明还涉及制备该化合物的方法以及含有该化合物的制药组合物。
• US8716319B2
  申请人：——

  公开号：US8716319B2

  公开（公告）日：2014-05-06
• US9045428B2
  申请人：——

  公开号：US9045428B2

  公开（公告）日：2015-06-02
• [EN] OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS<br/>[FR] DÉRIVÉS DE DIHYDROPYRIDINE, DIHYDROPYRIMIDINE ET DIHYDROPYRANE FACULTATIVEMENT CONDENSÉS AGISSANT COMME BLOQUEURS DES CANAUX CALCIQUES TARDIFS
  申请人：CV THERAPEUTICS INC

  公开号：WO2009006580A1

  公开（公告）日：2009-01-08

  The present invention relates to novel heterocyclic compounds and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula (I): wherein Q1, Q2, R2, R3, R4, R5, and R6 are as described herein. The invention also relates to methods for the preparation of the compounds, and to pharmaceutical compositions containing such compounds.
• [EN] OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS<br/>[FR] DÉRIVÉS DE DIHYDROPYRIDINE, DE DIHYDROPYRIMIDINE ET DE DIHYDROPYRANE FACULTATIVEMENT CONDENSÉS, JOUANT LE RÔLE DE BLOQUEURS TARDIFS DES CANAUX SODIQUES
  申请人：CV THERAPEUTICS INC

  公开号：WO2010002483A1

  公开（公告）日：2010-01-07

  The present invention relates to novel heterocyclic compounds and to their use in the treatment of various disease states, including cardiovascular diseases and diabetes. In particular embodiments, the structure of the compounds is given by Formula (I): wherein Ql, Q2, R2, R3, R4, R5, and R6 are as described herein. The invention also relates to methods for the preparation of the compounds, and to pharmaceutical compositions containing such compounds.