2-甲基-5-吗啉磺酰基-3-甲酸 | 306936-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 2-甲基-5-吗啉磺酰基-3-甲酸
• 中文别名: 2-甲基-5-(吗啉磺酰基)-3-糠酸
• 英文名称: 2-Methyl-5-(Morpholinosulfonyl)-3-Furoic Acid
• 英文别名: 2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxylic acid
• CAS: 306936-37-8
• 化学式: C₁₀H₁₃NO₆S
• 分子量: 275.282
• InChiKey: COSCPEVCSMIUDC-UHFFFAOYSA-N

物化性质

• 熔点：
  178-180
• 沸点：
  496.5±55.0 °C(Predicted)
• 密度：
  1.468±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2-甲基-5-吗啉磺酰基-3-甲酸 、 苯胺 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 、 1-(2-Methyl-5-(morpholinosulfonyl)furan-3-yl)-3-phenylurea
  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
• 作为产物：
  描述：

  Methyl 2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxylate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-甲基-5-吗啉磺酰基-3-甲酸
  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

• Inhibitors of cathepsin S
  申请人：IRM LLC

  公开号：US20040198780A1

  公开（公告）日：2004-10-07

  The present invention provides compounds, compositions and methods for the selective inhibition of cathepsin S. In a preferred aspect, cathepsin S is selectively inhibited in the presence of at least one other cathepsin isozyme (e.g., cathespin K). The present invention also provides methods for treating a disease state in a subject by selectively inhibiting cathepsin S.

  本发明提供了用于选择性抑制蛋白酶S的化合物、组合物和方法。在一个优选方面，当至少存在另一种蛋白酶同工酶（例如，蛋白酶K）时，选择性地抑制蛋白酶S。本发明还提供了通过选择性抑制蛋白酶S来治疗受试者疾病状态的方法。
• Pyrrolidone carboxamides
  申请人：Isler Markus

  公开号：US20050192292A1

  公开（公告）日：2005-09-01

  Pyrrolidone carboxamides of formula (I) where R 2 =a group of formula (a) or (b), R 5 =phenyl, heteroalkyl, aryloxy, alkoxy, alkanoyl or —NR 6 R 7 and R 1 , X, R 3 , R 4 , R 6 and R 7 have the meanings given in the description and the claims, pharmaceutically applicable acid addition salts with basic compounds of formula (I), pharmaceutically applicable salts of acid compounds of formula (I) with bases, pharmaceutically applicable esters of hydroxy- or carboxy-group containing compounds of formula (I) and hydrates and solvates thereof, inhibit the interaction of neuropeptide Y (NPY) with one of the neuropeptide receptor subtypes (NPY-Y5) and are particularly suitable for the prevention and treatment of arthritis, diabetes and especially eating disorders and obesity. The above can be produced by known methods and converted into a galenic dosage form.

  式 (I) 的吡咯烷酮羧酰胺，其中 R 2 =式 (a) 或 (b) 的基团，R 5 =苯基、杂烷基、芳氧基、烷氧基、烷酰基或-NR 6 R 7 和 R 1 ，X，R 3 , R 4 , R 6 和 R 7 具有在说明书和权利要求书中给出的含义；式(I)碱性化合物的药学上适用的酸加成盐；式(I)酸性化合物与碱的药学上适用的盐；含羟基或羧基的式(I)化合物的药学上适用的酯及其水合物和溶剂、抑制神经肽 Y（NPY）与一种神经肽受体亚型（NPY-Y5）的相互作用，特别适用于预防和治疗关节炎、糖尿病，尤其是进食障碍和肥胖症。上述药物可通过已知方法生产，并转化为半成品剂型。
• US7067549B2
  申请人：——

  公开号：US7067549B2

  公开（公告）日：2006-06-27
• US7109243B2
  申请人：——

  公开号：US7109243B2

  公开（公告）日：2006-09-19
• [EN] INHIBITORS OF CATHEPSIN S<br/>[FR] INHIBITEURS DE CATHEPSINE S
  申请人：IRM LLC

  公开号：WO2004084842A2

  公开（公告）日：2004-10-07

  The present invention provides compounds, compositions and methods for the selective inhibition of cathepsin S. In a preferred aspect, cathepsin S is selectively inhibited in the presence of at least one other cathepsin isozyme (e.g., cathespin K). The present invention also provides methods for treating a disease state in a subject by selectively inhibiting cathepsin S.