methyl 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carboxylate | 1122567-32-1

• 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 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carboxylate
• 英文别名: methyl 5-chlorosulfonyl-2-methylpyrazole-3-carboxylate
• CAS: 1122567-32-1
• 化学式: C₆H₇ClN₂O₄S
• mdl: MFCD19201260
• 分子量: 238.652
• InChiKey: VPCXPKBLPDHQFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  86.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carboxylate 在 氨 作用下， 以 二氯甲烷 为溶剂， 以87.09 %的产率得到methyl 1-methyl-3-sulfamoyl-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  [EN] NLRP3 INHIBITORS
  [FR] INHIBITEURS DE NLRP3

  摘要：

  Disclosed herein are small molecule compounds that are capable of inhibiting NLRP3 family proteins and NLRP3 inflammasome function in various disease settings. The disease is characterized by a disease progression pathology that comprises the activity of NLRP3 inflammasome. Disclosed herein also include pharmaceutical compositions comprising a therapeutically effective amount of the NLRP3 inhibitor compound, the use and preparation thereof.

  公开号：

  WO2024010772A1
• 作为产物：
  描述：

  3-氨基-1-甲基吡唑-5-羧酸甲酯 在 盐酸 、 sodium nitrite 、 copper(II) chloride dihydrate 、 二氧化硫 作用下， 以 甲酸 、 水 、 溶剂黄146 为溶剂， 生成 methyl 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors

  摘要：

  Endothelial lipase (EL) activity has been implicated in HDL catabolism, vascular inflammation, and atherogenesis, and inhibitors are therefore expected to be useful for the treatment of cardiovascular disease. Sulfonylfuran urea 1 was identified in a high-throughput screening campaign as a potent and non-selective EL inhibitor. A lead optimization effort was undertaken to improve potency and selectivity, and modifications leading to improved LPL selectivity were identified. Radiolabeling studies were undertaken to establish the mechanism of action for these inhibitors, which were ultimately demonstrated to be irreversible inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.033

文献信息

• COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY
  申请人：Novartis AG

  公开号：EP3445749B1

  公开（公告）日：2022-12-21
• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS DESTINÉS AU TRAITEMENT D'ÉTATS ASSOCIÉS À UNE ACTIVITÉ DE NLRP
  申请人：IFM THERAPEUTICS INC

  公开号：WO2017184604A1

  公开（公告）日：2017-10-26

  In one aspect, compounds of Formula A, or a pharmaceutically acceptable salt thereof, are featured, or a pharmaceutically acceptable salt thereof, wherein the variables shown in Formula A can be as defined anywhere herein.
• Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors
  作者：Krista B. Goodman、Michael J. Bury、Mui Cheung、Maria A. Cichy-Knight、Sarah E. Dowdell、Allison K. Dunn、Dennis Lee、Jeffrey A. Lieby、Michael L. Moore、Daryl A. Scherzer、Deyou Sha、Dominic P. Suarez、Dennis J. Murphy、Mark R. Harpel、Eric S. Manas、Dean E. McNulty、Roland S. Annan、Rosalie E. Matico、Benjamin K. Schwartz、John J. Trill、Thomas D. Sweitzer、Da-yuan Wang、Paul M. Keller、John A. Krawiec、Michael C. Jaye

  DOI：10.1016/j.bmcl.2008.11.033

  日期：2009.1

  Endothelial lipase (EL) activity has been implicated in HDL catabolism, vascular inflammation, and atherogenesis, and inhibitors are therefore expected to be useful for the treatment of cardiovascular disease. Sulfonylfuran urea 1 was identified in a high-throughput screening campaign as a potent and non-selective EL inhibitor. A lead optimization effort was undertaken to improve potency and selectivity, and modifications leading to improved LPL selectivity were identified. Radiolabeling studies were undertaken to establish the mechanism of action for these inhibitors, which were ultimately demonstrated to be irreversible inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.
• [EN] NLRP3 INHIBITORS<br/>[FR] INHIBITEURS DE NLRP3
  申请人：[en]KODIAK SCIENCES INC.

  公开号：WO2024010772A1

  公开（公告）日：2024-01-11

  Disclosed herein are small molecule compounds that are capable of inhibiting NLRP3 family proteins and NLRP3 inflammasome function in various disease settings. The disease is characterized by a disease progression pathology that comprises the activity of NLRP3 inflammasome. Disclosed herein also include pharmaceutical compositions comprising a therapeutically effective amount of the NLRP3 inhibitor compound, the use and preparation thereof.