N-(2-Hydroxyethyl) 2-(2-hydroxyethylamino)sulfonyl-6-nitrobenzoate | 106324-20-3

• 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: N-(2-Hydroxyethyl) 2-(2-hydroxyethylamino)sulfonyl-6-nitrobenzoate
• 英文别名: N-(2-Hydroxyethyl)-2-[N-(2-hydroxyethyl)aminosulfonyl]-6-nitrobenzamide；N-(2-hydroxyethyl)-2-(2-hydroxyethylsulfamoyl)-6-nitrobenzamide
• CAS: 106324-20-3
• 化学式: C₁₁H₁₅N₃O₇S
• 分子量: 333.322
• InChiKey: ZNKSNIYKJRIWKE-UHFFFAOYSA-N

物化性质

• 密度：
  1.513±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  170
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-nitro-2H-1,2-benzoisothiazol-3-one 1,1-dioxide 以 四氢呋喃 、 水 为溶剂， 反应 91.0h， 生成 N-(2-Hydroxyethyl) 2-(2-hydroxyethylamino)sulfonyl-6-nitrobenzoate
  参考文献：
  名称：

  硝基取代的1,2-苯并噻唑-3（2 H）-1,1-二氧化物（亚硝基糖精）的便捷合成

  摘要：

  硝基取代的1，2-苯并噻唑-3（2 H）-1，1，1-二氧化物（亚硝基糖精）是通过对2-氯磺酰基苯甲酸硝基酯进行氨解而合成的。该方法似乎具有优于邻甲苯磺酰胺氧化的原始方法的优点。

  DOI：

  10.1002/jhet.5570230456

文献信息

• Esters of 2-(substituted sulfamyl)-6-nitro-benzoic acid and
  申请人：Merck & Co., Inc.

  公开号：US04654369A1

  公开（公告）日：1987-03-31

  Amides and esters of 2-(substituted sulfamyl)-6-nitro-benzoic acid, in which the substituents on the sulfamyl nitrogen are non-basic, such as: hydrogen, alkyl, hydroxyalkyl and non-basic heterocycles, which are useful as adjuncts to radiation therapy.

  2-(取代磺胺基)-6-硝基苯甲酸的酰胺和酯，其中磺胺基氮上的取代基是非碱性的，例如：氢、烷基、羟基烷基和非碱性杂环，可作为辅助放射治疗的有用物质。
• Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids and
  申请人：Merck & Co., Inc.

  公开号：US04694020A1

  公开（公告）日：1987-09-15

  Derivatives of 2-(substituted sulfamyl) 6-nitrobenzoic acids are disclosed, wherein at least one of the sulfamyl substituents is selected from amino-(lower alkyl), (lower alkyl)-amino-(lower alkyl), or di(lower alkyl)-amino-(lower alkyl), hydrogen, lower alkyl, hydroxy-(lower alkyl), allyl, or when taken together with the nitrogen of the sulfamyl moiety, form a heterocyclic ring. These compounds have activity in increasing the sensitivity of hypoxic tumor cells to therapeutic radiation. Also disclosed are methods of preparing such compounds and pharmaceutical compositions including such compounds.

  2-(取代磺胺基)6-硝基苯甲酸的衍生物被披露，其中至少一个磺胺基取代基被选自氨基-(较低烷基)、(较低烷基)-氨基-(较低烷基)、或二(较低烷基)-氨基-(较低烷基)、氢、较低烷基、羟基-(较低烷基)、丙烯基，或者与磺胺基的氮一起形成杂环环。这些化合物具有增加低氧肿瘤细胞对治疗放射线的敏感性的活性。还披露了制备这种化合物的方法和包括这种化合物的药物组合物。
• Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids, useful as
  申请人：Merck & Co., Inc.

  公开号：US04847294A1

  公开（公告）日：1989-07-11

  Derivatives of 2-(Substituted sulfamyl) 6-nitrobenzoic acids are disclosed, wherein at least one of the sulfamyl substituents is selected from amino-(lower alkyl), (lower alkyl)-amino-(lower alkyl), or di(lower alkyl)-amino-(lower alkyl), hydrogen, lower alkyl, hydroxy-(lower alkyl), allyl, or when taken together with the nitrogen of the sulfamyl moiety, form a heterocyclic ring. These compounds have activity in increasing the sensitivity of hypoxic tumor cells to therapeutic radiation. Also disclosed are methods of preparing such compounds and pharmaceutical compositions including such compounds.

  2-(取代磺胺基) 6-硝基苯甲酸的衍生物被披露，其中磺胺基取代基之一被选择为氨基-(较低烷基)、(较低烷基)-氨基-(较低烷基)、或二(较低烷基)-氨基-(较低烷基)、氢、较低烷基、羟基-(较低烷基)、烯丙基，或与磺胺基的氮原子一起形成杂环环。这些化合物具有增加低氧肿瘤细胞对放射治疗的敏感性的活性。还披露了制备这些化合物的方法以及包括这些化合物的药物组合物。
• 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them
  申请人：Merck & Co., Inc.

  公开号：EP0197386A1

  公开（公告）日：1986-10-15

  2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid wherein at least one of the sulfamyl substituents is a basic substituent selected from amino-(lower alkyl), (lower alkyl)-amino-(Iower alkyl), or di(lower alkyl)-amino-(Iower alkyl) or as in one case, -R2 and R3 are each separately non-basic substituents, are disclosed to have activity in increasing the sensitivity of hypoxic tumor cells to therapeutic radiation. Also disclosed are methods of preparing such compounds and pharmaceutical compositions including such compounds.

  公开了 6-硝基苯甲酸的 2-(取代的氨基磺酰基)衍生物，其中至少一个氨基磺酰基是选自氨基-(低级烷基)、(低级烷基)-氨基-(下级烷基)或二(低级烷基)-氨基-(下级烷基)的碱性取代基，或在一种情况下，-R2 和 R3 分别是非碱性取代基。 还公开了制备此类化合物和包括此类化合物的药物组合物的方法。
• US4654369A
  申请人：——

  公开号：US4654369A

  公开（公告）日：1987-03-31