4-Methoxy-3-methyl-benzofuran-2-carbonsaeure | 3781-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-Methoxy-3-methyl-benzofuran-2-carbonsaeure
• 英文别名: 4-Methoxy-3-methyl-cumarilsaeure；4-methoxy-3-methyl-benzofuran-2-carboxylic acid；4-Methoxy-3-methylbenzofuran-2-carboxylic acid；4-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
• CAS: 3781-72-4
• 化学式: C₁₁H₁₀O₄
• 分子量: 206.198
• InChiKey: MBJKFAUPYMUFOV-UHFFFAOYSA-N

物化性质

• 沸点：
  367.1±37.0 °C(Predicted)
• 密度：
  1.295±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  4-Methoxy-3-methyl-benzofuran-2-carbonsaeure 生成 4-methoxy-N,N,3-trimethyl-1-benzofuran-2-carboxamide
  参考文献：
  名称：

  TAKIDZAVA, XIROSI;IKUTI, JOSIMASA;XIRAYAMA, TAKIYUKI

  摘要：

  DOI：
• 作为产物：
  描述：

  4-hydroxy-3-methyl-benzofuran-2-carboxylic acid tert-butyl ester 在 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-Methoxy-3-methyl-benzofuran-2-carbonsaeure
  参考文献：
  名称：

  Synthesis and SAR of highly selective MMP-13 inhibitors

  摘要：

  The structure-based design and synthesis of a series of novel biphenyl sulfonamide carboxylic acids as potent MMP-13 inhibitors with selectivity over MMP-1, MMP-2, MMP-3, MMP-7, MMP-8, MMP-9, MMP-14, Aggrecanase 1, and TACE are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.001

文献信息

• Protease inhibitors
  申请人：SmithKline Beecham Corporation

  公开号：US20030144175A1

  公开（公告）日：2003-07-31

  The present invention provides 4-amino-azepan-3-one protease inhibitors and pharmaceutically acceptable salts, hydrates and solvates thereof which inhibit proteases, including cathepsin K, pharmaceutical compositions of such compounds, novel intermediates of such compounds, and methods for treating diseases of excessive bone loss or cartilage or matrix degradation, including osteoporosis; gingival disease including gingivitis and periodontitis; arthritis, more specifically, osteoarthritis and rheumatoid arthritis; Paget's disease; hypercalcemia of malignancy; and metabolic bone disease, comprising inhibiting said bone loss or excessive cartilage or matrix degradation by administering to a patient in need thereof a compound of the present invention.

  本发明提供了4-氨基-氮杂七环-3-酮蛋白酶抑制剂及其药用可接受的盐、水合物和溶剂化物，其抑制蛋白酶，包括卡特普辛K，这些化合物的药物组合物，这些化合物的新中间体，以及治疗骨骼过度流失或软骨或基质降解疾病的方法，包括骨质疏松症；牙龈疾病，包括牙龈炎和牙周炎；关节炎，更具体地说，是骨关节炎和类风湿关节炎；帕吉特病；恶性高钙血症；和代谢性骨病，包括通过向需要的患者施用本发明化合物来抑制骨质流失或过度软骨或基质降解。
• Biaryl sulfonamides and methods for using same
  申请人：Levin Ian Jeremy

  公开号：US20050143422A1

  公开（公告）日：2005-06-30

  The present invention relates to biaryl sulfonamides and their use as, for example, metalloproteinase inhibitors.

  本发明涉及联苯磺酰胺及其用途，例如作为金属蛋白酶抑制剂。
• [EN] PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2001095911A1

  公开（公告）日：2001-12-20

  The present invention provides 4-amino-azepan-3-one protease inhibitors and pharmaceutically acceptable salts, hydrates and solvates thereof which inhibit proteases, including cathepsin K, pharmaceutical compositions of such compounds, novel intermediates of such compounds, and methods for treating diseases of excessive bone loss or cartilage or matrix degradation, including osteoporosis; gingival disease including gingivitis and periodontitis; arthritis, more specifically, osteoarthritis and rheumatoid arthritis; Paget's disease; hypercalcemia of malignancy; and metabolic bone disease, comprising inhibiting said bone loss or excessive cartilage or matrix degradation by administering to a patient in need thereof a compound of the present invention.

  本发明提供了4-氨基-氮杂七环-3-酮蛋白酶抑制剂及其药学上可接受的盐、水合物和溶剂化物，该抑制剂可以抑制蛋白酶，包括卡他蛋白K，以及这些化合物的药物组合物、这些化合物的新中间体，以及治疗骨量过度流失、软骨或基质降解等疾病的方法，包括骨质疏松症；牙龈疾病，包括牙龈炎和牙周炎；关节炎，更具体地说是骨关节炎和类风湿性关节炎；帕吉特病；恶性高钙血症；以及代谢性骨病，通过向需要治疗的患者施用本发明的化合物来抑制骨量过度流失或过度软骨或基质降解。
• [EN] BIARYL SULFONAMIDES AS MMP INHIBITORS<br/>[FR] SULFONAMIDES BIARYLIQUES INHIBITEURS DE MMP
  申请人：WYETH CORP

  公开号：WO2005061477A1

  公开（公告）日：2005-07-07

  The present invention relates to biaryl sulfonamides and their use as, for example, metalloproteinase inhibitors: Formule (I).

  本发明涉及联苯磺酰胺及其用途，例如，作为金属蛋白酶抑制剂：式（I）。
• Method of treatment
  申请人：SmithKline Beecham Corporation

  公开号：US20030044399A1

  公开（公告）日：2003-03-06

  The present invention relates to methods of treating parasitic diseases which are mediated by cysteine proteases by administration of 4-amino-azepan-3-one protease inhibitors. In particular, the present invention relates to a method of treating malaria by inhibiting the cysteine protease falcipain.

  本发明涉及通过给予4-氨基-氮杂辛酮蛋白酶抑制剂治疗由半胱氨酸蛋白酶介导的寄生病的方法。特别地，本发明涉及通过抑制半胱氨酸蛋白酶falcipain来治疗疟疾的方法。