(2R)-2-(4-but-2-ynyloxy-benzenesulfonylamino)-5-aminopentanoic acid O-tert-butylhydroxyamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R)-2-(4-but-2-ynyloxy-benzenesulfonylamino)-5-aminopentanoic acid O-tert-butylhydroxyamide
• 英文别名: (2r)-2-(4-But-2-ynyloxy-benzenesulfonylamino)-5-aminopentanoic acid o-tert-butylhydroxyamide；(2R)-5-amino-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-[(2-methylpropan-2-yl)oxy]pentanamide
• 化学式: C₁₉H₂₉N₃O₅S
• 分子量: 411.522
• InChiKey: HTNVIRFMDWPJIJ-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2R)-2-(4-but-2-ynyloxy-benzenesulfonylamino)-5-aminopentanoic acid O-tert-butylhydroxyamide 、 氯甲酸正辛酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS

  摘要：

  公开号：

  EP1144368B1
• 作为产物：
  描述：

  (2R)-2-(4-but-2-ynyloxy-benzenesulfonylamino)-5-tert-butoxycarbonyl-aminopentanoic acid O-tert-butylhydroxyamide 在 2,6-二甲基吡啶 、 trimethylsilyl trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (2R)-2-(4-but-2-ynyloxy-benzenesulfonylamino)-5-aminopentanoic acid O-tert-butylhydroxyamide
  参考文献：
  名称：

  ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS

  摘要：

  公开号：

  EP1144368B1

文献信息

• Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists
  申请人：——

  公开号：US20020187961A1

  公开（公告）日：2002-12-12

  The invention relates to the use of derivatives of E-type prostaglandins as EP 2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: 1 wherein the hatched segment represents an &agr; bonds, the solid triangle represents a &bgr; bond, the wavy segments represent &agr; or &bgr; bond, dashed lines represent a double bond or a single bond R, , R 1 , R 2 and R 3 are as defined in the specification.

  这项发明涉及将E型前列腺素的衍生物作为EP2激动剂的使用，一般而言，特别是作为眼压降低剂。根据本发明使用的PGE衍生物由以下式I表示：其中，阴影部分代表α键，实心三角形代表β键，波浪线段代表α或β键，虚线代表双键或单键，R，R1，R2和R3如规范中定义。
• 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。
• Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists
  申请人：Burk M, Robert

  公开号：US20050113338A1

  公开（公告）日：2005-05-26

  The invention relates to the use of derivatives of E-type prostaglandins as EP 2 agonists, in general, and, in particular as ocular hypotensives. The PGE derivatives used in accordance with the invention are represented by the following formula I: wherein the hatched segment represents an α bonds, the solid triangle represents a β bond, the wavy segments represent α or β bond, dashed lines represent a double bond or a single bond, X is selected from the group consisting of hydrogen and halogen radicals, R 3 is heteroaryl or a substituted heteroaryl radical, R 1 and R 2 are independently selected from the group consisting of hydrogen or a lower alkyl radical having up to six carbon atoms, or a lower acyl radical having up to six carbon atoms, R is selected from the group consisting of CO 2 R 4 , CONR 4 2 , CH 2 OR 4 , CONR 4 SO 2 R 4 , P(O)(OR 4 ) and wherein R 4 is selected from the group consisting of H, phenyl and lower alkyl having from one to six carbon atoms and n is 0 or an integer of from 1 to 4.

  本发明涉及将E型前列腺素衍生物作为EP2激动剂的使用，一般而言，特别是作为眼压降低剂。根据本发明使用的PGE衍生物由以下公式I表示：其中虚线段表示α键，实三角形表示β键，波浪线段表示α或β键，虚线表示双键或单键，X选自氢和卤基团组成的群，R3为杂环芳基或取代的杂环芳基基团，R1和R2独立选自氢或具有最多六个碳原子的较低烷基基团，或具有最多六个碳原子的较低酰基基团，R选自CO2R4、CONR42、CH2OR4、CONR4SO2R4、P（O）（OR4）和其中R4选自H、苯基和具有从1到6个碳原子的较低烷基，n为0或1至4的整数。
• 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 &agr;-amino acid-based sulfonamide hydroxamic acid tace inhibitors
  申请人：Wyeth Holdings Corporation

  公开号：US06812227B2

  公开（公告）日：2004-11-02

  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.

  公式为的化合物在治疗由TNF-α介导的疾病状况中是有用的，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、克罗恩病和软骨退化损失。