methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate | 168272-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate
• 英文别名: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid methyl ester；Methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylate
• CAS: 168272-78-4
• 化学式: C₁₈H₁₃Cl₃N₂O₂
• 分子量: 395.672
• InChiKey: RVEYFOLHNYHODX-UHFFFAOYSA-N

物化性质

• 沸点：
  512.5±50.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxaldehyde
  参考文献：
  名称：

  [EN] MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF
  [FR] INHIBITEURS DE MMPL3, COMPOSITIONS ET UTILISATIONS ASSOCIÉES

  摘要：

  揭示了抑制结核分枝杆菌膜蛋白MmpL3的抑制剂，包含这些抑制剂的组合物，以及其制备和使用方法。

  公开号：

  WO2020103856A1
• 作为产物：
  描述：

  5-(4-氯苯基)-1-(2,4-二氯苯基)-4-甲基-1H-吡唑-3-羧酸乙酯 在 硫酸 、 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 14.5h， 生成 methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  [EN] MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF
  [FR] INHIBITEURS DE MMPL3, COMPOSITIONS ET UTILISATIONS ASSOCIÉES

  摘要：

  揭示了抑制结核分枝杆菌膜蛋白MmpL3的抑制剂，包含这些抑制剂的组合物，以及其制备和使用方法。

  公开号：

  WO2020103856A1

文献信息

• Derivatives of N′-(1,5-diphenyl-1H-pyrazol-3-yl) sulfonamide with CB1 receptor affinity
  申请人：Sanofi-Aventis

  公开号：US07294645B2

  公开（公告）日：2007-11-13

  The invention relates to compounds of formula (I): Wherein R1, R2, R3, R4, R5, R6, R7, R8, R9 are as defined herein. The invention also relates to the preparation method thereof and to the use of same in therapeutics.

  该发明涉及式(I)的化合物：其中R1、R2、R3、R4、R5、R6、R7、R8、R9如本文所定义。该发明还涉及其制备方法以及在治疗中的应用。
• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040077650A1

  公开（公告）日：2004-04-22

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the modulation of the cannabinoid receptors in animals are described herein. 1

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体调节相关疾病中的用途。
• Derivatives of N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide, their preparation and their application in therapeutics
  申请人：Sanofi-Aventis

  公开号：US07297710B1

  公开（公告）日：2007-11-20

  The present invention relates to compounds corresponding to the formula (I): In which R1, R2, R3, R4 and R5 are as described herein. The invention also relates to the method of preparation of said compounds and their application in therapeutics.

  本发明涉及与以下公式（I）对应的化合物：其中R1、R2、R3、R4和R5如本文所述。该发明还涉及所述化合物的制备方法及其在治疗中的应用。
• Pyrazole derivatives, method for preparing same, and pharmaceutical
  申请人：Sanofi-Synthelabo

  公开号：US06028084A1

  公开（公告）日：2000-02-22

  Compounds of formula (I), wherein R.sub.1 is fluorine, hydroxy, (C.sub.1-5) alkoxy, (C.sub.1-5) alkylthio, hydroxy(C.sub.1-5)alkoxy, a -NR.sub.10 R.sub.11, group, cyano, (C.sub.1-5) alkyl-sulphonyl or (C.sub.1-5) alkylsulphinyl; R.sub.2 and R.sub.3 are each (C,.sub.4) alkyl or, taken together with the nitrogen atom to which they are attached, form a saturated or unsaturated 5- to 10-membered heterocyclic radical optionally substituted one or more times by (C.sub.1-3) alkyl or (C.sub.1-3) alkoxy; each of R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8 and R.sub.9 is independently hydrogen, halogen or trifluoromethyl, and when R.sub.1 is fluorine, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8 and/or R.sub.9 may also be fluoromethyl; with the proviso that at least one of substituents R.sub.4 or R.sub.7. is other than hydrogen; each of R.sub.10 and R.sub.11 is independently hydrogen or (C.sub.1-5) alkyl, or R.sub.10 and R.sub.11, taken together with the nitrogen atom to which they are attached, form a heterocyclic radical selected from pyrrolidin-1-yl, piperidin-1-yl, morpholin-4-yl or piperazin-1-yl optionally substituted by (C.sub.1-4) alkyl; a method for preparing same, and pharmaceutical compositions containing said compounds, are disclosed. Said compounds have very high affinity for central cannabinoid receptors. ##STR1##

  式(I)的化合物，其中R.sub.1是氟、羟基、(C.sub.1-5)烷氧基、(C.sub.1-5)烷基硫醚、羟基(C.sub.1-5)烷氧基、-NR.sub.10 R.sub.11基团、氰基、(C.sub.1-5)烷基磺酰基或(C.sub.1-5)烷基亚磺酰基；R.sub.2和R.sub.3分别是(C,.sub.4)烷基或与它们所连接的氮原子一起形成饱和或不饱和的5-至10-成员杂环基团，该基团可选择地被(C.sub.1-3)烷基或(C.sub.1-3)烷氧基取代一次或多次；R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和R.sub.9中的每一个都是独立的氢、卤素或三氟甲基，当R.sub.1是氟时，R.sub.4、R.sub.5、R.sub.6、R.sub.7、R.sub.8和/或R.sub.9也可以是氟甲基；但要注意的是，R.sub.4或R.sub.7的至少一个取代基不是氢；R.sub.10和R.sub.11中的每一个都是独立的氢或(C.sub.1-5)烷基，或者R.sub.10和R.sub.11与它们所连接的氮原子一起形成从吡咯烷-1-基、哌啶-1-基、吗啉-4-基或哌嗪-1-基中选择的杂环基团，该杂环基团可选择地被(C.sub.1-4)烷基取代；公开了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。这些化合物对中枢大麻素受体具有非常高的亲和力。##STR1##
• DERIVATIVES OF N-[(1,5-DIPHENYL-1H-PYRAZOL-3-YL)METHYL] SULFONAMIDE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS
  申请人：Barth Francis

  公开号：US20080070962A1

  公开（公告）日：2008-03-20

  The present invention relates to compounds corresponding to the formula (I): In which R 1 , R 2 , R 3 , R 4 and R 5 are as described herein. The invention also relates to the method of preparation of said compounds and their application in therapeutics.

  本发明涉及与式(I)相对应的化合物：其中R1、R2、R3、R4和R5如本文所述。该发明还涉及所述化合物的制备方法及其在治疗学中的应用。