4-(methoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid | 1131912-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(methoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
• 英文别名: 4-methoxycarbonyl-2-methylpyrazole-3-carboxylic acid
• CAS: 1131912-84-9
• 化学式: C₇H₈N₂O₄
• mdl: MFCD12548033
• 分子量: 184.152
• InChiKey: XYVYDPDSDRTULL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(methoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid 在 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 5-(chlorocarbonyl)-1-methyl-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  [EN] FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS
  [FR] DÉRIVÉS DE PYRIDAZINE FUSIONNÉS UTILISÉS COMME INHIBITEURS DE NLRP3

  摘要：

  Disclosed are compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein α, β, m, R5, R6, R7, R9, R10, R11, Ra, Rb, X1, X2, X3, X4and X8are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula (I), to pharmaceutical compositions which contain them, and to their use for treating diseases, disorders, and conditions associated with NLRP3.

  公开号：

  WO2023194964A1

文献信息

• TRIAZOLOPYRIDINE COMPOUNDS
  申请人：Flohr Alexander

  公开号：US20120142665A1

  公开（公告）日：2012-06-07

  The invention is concerned with triazolopyridine compounds of formula (I) wherein R 1 , R 2 , R 3 and R 4 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDE10A and can be used as pharmaceuticals.

  本发明涉及通式(I)的三唑并吡啶化合物，其中R1、R2、R3和R4如说明书和权利要求中所定义，以及其生理上可接受的盐。这些化合物抑制PDE10A，可用作药物。
• [EN] TRIAZOLOPYRIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE TRIAZOLOPYRIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012076430A1

  公开（公告）日：2012-06-14

  The invention is concerned with triazolopyridine compounds of formula (I), wherein R1, R2 , R3 and R4 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDEIOA and can be used as medicaments.

  本发明涉及通式(I)的三唑并吡啶化合物，其中R1、R2、R3和R4如说明书和权利要求中所定义，以及其生理上可接受的盐。这些化合物抑制PDEIOA，可用作药物。
• Triazolopyridine compounds
  申请人：Hoffmann-La Roche Inc.

  公开号：US08349824B2

  公开（公告）日：2013-01-08

  The invention is concerned with triazolopyridine compounds of formula (I) wherein R1, R2, R3 and R4 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDE10A and can be used as pharmaceuticals.

  本发明涉及式(I)的三唑吡啶化合物，其中R1、R2、R3和R4如所述及索权中定义，以及其生理上可接受的盐。这些化合物抑制PDE10A并可用作药物。
• [EN] METHODS FOR THE TREATMENT OF CHILDHOOD-ONSET FLUENCY DISORDER<br/>[FR] PROCÉDÉS POUR LE TRAITEMENT D'UN TROUBLE DE LA FLUIDITÉ VERBALE APPARAISSANT DURANT L'ENFANCE
  申请人：NOEMA PHARMA AG

  公开号：WO2022162193A1

  公开（公告）日：2022-08-04

  Provided herein are methods of treating Childhood-Onset Fluency Disorder (COFD) in a subject in need thereof by administering to the subject compositions comprising a PDE10A inhibitor. Also disclosed are methods of treating COFD in a subject in need thereof by administering to the subject compositions comprising the compound of Formula I below:

  本文提供了一种治疗儿童发音障碍（COFD）的方法，即通过向需要治疗的患者施用包含PDE10A抑制剂的组合物来治疗。此外，本文还披露了一种治疗COFD的方法，即通过向需要治疗的患者施用包含下式I化合物的组合物来治疗：
• [EN] USE OF A PHOSPHODIESTERASE 10 INHIBITOR FOR THE TREATMENT OF TOURETTE SYNDROME<br/>[FR] UTILISATION D'UN INHIBITEUR DE PHOSPHODIESTÉRASE 10 POUR LE TRAITEMENT DU SYNDROME DE TOURETTE
  申请人：NOEMA PHARMA AG

  公开号：WO2021245280A9

  公开（公告）日：2022-01-27