tert-butyl 2-(4-fluoro-N-methylphenylsulfonamido)acetate | 287407-07-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-(4-fluoro-N-methylphenylsulfonamido)acetate
• 英文别名: [(4-fluoro-benzenesulfonyl)-methyl-amino]-acetic acid tert-butyl ester；[(4-Fluoro-benzenesulfonyl)-methyl-amino]-acetic acid tert-butylester；tert-butyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
• CAS: 287407-07-2
• 化学式: C₁₃H₁₈FNO₄S
• 分子量: 303.355
• InChiKey: CNBIXAUKIBQAMX-UHFFFAOYSA-N

物化性质

• 沸点：
  385.6±52.0 °C(Predicted)
• 密度：
  1.236±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(4-fluoro-N-methylphenylsulfonamido)acetate 在 盐酸 、 三苯基膦 作用下， 以 二甲基亚砜 为溶剂， 生成 2-[(4-but-2-ynylthiophenylsulfonyl)methylamino]acetic acid tert-butyl ester
  参考文献：
  名称：

  Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates

  摘要：

  The SAR of a series of potent sulfonamide hydroxamate TACE inhibitors, all bearing a butynyloxy P1' group, was explored. In particular, compound 5j has excellent in vitro potency against isolated TACE enzyme and in cells, good selectivity over MMP-1 and MMP-9, and oral activity in an in vivo model of TNF-alpha production and a collagen-induced arthritis model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00514-6
• 作为产物：
  描述：

  2-(4-fluorophenylsulfonamido)acetic acid 在 potassium carbonate 作用下， 生成 tert-butyl 2-(4-fluoro-N-methylphenylsulfonamido)acetate
  参考文献：
  名称：

  Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates

  摘要：

  The SAR of a series of potent sulfonamide hydroxamate TACE inhibitors, all bearing a butynyloxy P1' group, was explored. In particular, compound 5j has excellent in vitro potency against isolated TACE enzyme and in cells, good selectivity over MMP-1 and MMP-9, and oral activity in an in vivo model of TNF-alpha production and a collagen-induced arthritis model. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00514-6

文献信息

• Acetylenic &agr;-amino acid-based sulfonamide hydroxamic acid tace inhibitors
  申请人：American Cyanamid Company

  公开号：US06225311B1

  公开（公告）日：2001-05-01

  Compounds of the formula: are useful in treating disease conditions mediated by TNF-&agr;, such as rheumatoid arthritis, osteoarthritis, sepsis, AIDS, ulcerative colitis, multiple sclerosis, Crohn's disease and degenerative cartilage loss.

  该式化合物在治疗由TNF-α介导的疾病条件中很有用，如类风湿性关节炎、骨关节炎、败血症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和软骨退行性损失。
• 雄激素受体拮抗剂、其制备方法及其应用
  申请人：昆明积大制药股份有限公司

  公开号：CN109438297B

  公开（公告）日：2021-05-14

  本发明涉及雄激素受体拮抗剂、其制备方法及其应用，该雄激素受体拮抗剂为通式(1)表示的化合物及其药学上可接受的盐(通式中R1、R2、R3和R4的定义如说明书所示)。
• Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors
  申请人：——

  公开号：US20030008849A1

  公开（公告）日：2003-01-09

  Compounds of the formula: 1 are useful in treating disease conditions mediated by TNF-&agr;, such as rheumatoid arthritis, osteoarthritis, sepsis, AIDS, ulcerative colitis, multiple sclerosis, Crohn's disease and degenerative cartilage loss.

  公式为1的化合物可用于治疗由TNF-&agr;介导的疾病条件，例如类风湿性关节炎、骨关节炎、败血症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和退行性软骨丢失。
• Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors
  申请人：Levin I. Jeremy

  公开号：US20050113346A1

  公开（公告）日：2005-05-26

  Compounds of the formula: are useful in treating disease conditions mediated by TNF-α, such as rheumatoid arthritis, osteoarthritis, sepsis, AIDS, ulcerative colitis, multiple sclerosis, Crohn's disease and degenerative cartilage loss.

  式为的化合物在治疗由TNF-α介导的疾病条件方面非常有用，例如类风湿性关节炎、骨关节炎、败血症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和退行性软骨损失。
• ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS
  申请人：Wyeth Holdings Corporation

  公开号：EP1144368B1

  公开（公告）日：2004-07-14