2,3-二氢-1H-茚-5-磺酰胺 | 35203-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 2,3-二氢-1H-茚-5-磺酰胺
• 英文名称: 2,3-dihydro-5-indenylsulfonamide
• 英文别名: 2,3-dihydro-1H-indene-5-sulfonamide；5-indansulfonamide；indane-5-sulfonamide；indan-5-sulfonamide；Indan-5-sulfonamid
• CAS: 35203-93-1
• 化学式: C₉H₁₁NO₂S
• mdl: MFCD00021245
• 分子量: 197.258
• InChiKey: XVQJTFMKKZBBSX-UHFFFAOYSA-N

物化性质

• 沸点：
  377.8±52.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2,3-二氢-1H-茚-5-磺酰胺 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 11.0h， 生成 N-(5-indansulfonyl)-N'-(4-bromophenyl)urea
  参考文献：
  名称：

  Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships

  摘要：

  A series of diarylsulfonylureas with exceptionally broad-spectrum activity against syngeneic rodent solid tumors in vivo is described. Their discovery resulted from a program dedicated to in vivo screening for novel oncolytics in solid tumor models, rather than traditional ascites leukemia models. The structures, oral efficacy, side-effect profile, and mechanism of action of these sulfonylureas appear to be distinct from previously known classes of oncolytics. An extensive series of analogues was prepared to probe structure-activity relationships (SAR), with particular focus on the substituent patterns of each aryl domain. Quantitative analysis of these substituent SARs, using the method of cluster significance analysis, showed the lipophilicity of the substituents to be the dominant determinant of activity. One compound from the series, LY186641 (104, sulofenur), has progressed to Phase I clinical trials as an antitumor drug.

  DOI：

  10.1021/jm00171a013
• 作为产物：
  描述：

  茚满-5-磺酰氯 在 氨 、 水 作用下， 生成 2,3-二氢-1H-茚-5-磺酰胺
  参考文献：
  名称：

  Spilker, Chemische Berichte, 1893, vol. 26, p. 1541

  摘要：

  DOI：
• 作为试剂：
  描述：

  2,3-二氢-1H-茚-5-磺酰胺 、 对氯苯异氰酸酯 在 2,3-二氢-1H-茚-5-磺酰胺 作用下， 以32的产率得到磺氯苯脲
  参考文献：
  名称：

  Chem. Med. Chem. 2017, 12, 1449-1457

  摘要：

  DOI：

文献信息

• Phosphonoureide and phosphonothioureide anthelmintics
  申请人：Rohm and Haas Company

  公开号：US04183921A1

  公开（公告）日：1980-01-15

  This invention relates to novel anthelmintic compounds containing an arylene or divalent heterocyclic ring whose free valences are satisfied by (1) a disubstituted phosphoryl ureido or thioureido group and (2) an amino group or a substituted amido or thioamido group, to compositions containing them, and to methods of using them for the treatment of intestinal parasites in mammals and birds.

  这项发明涉及含有芳基或二价杂环环的新型驱虫化合物，其自由价通过（1）二取代磷酰基脲基或硫脲基团和（2）氨基或取代的酰胺或硫酰胺基团来满足，并涉及含有它们的组合物，以及使用它们治疗哺乳动物和鸟类肠道寄生虫的方法。
• Sulfonamide derivatives
  申请人：Haap Wolfgang

  公开号：US20080085928A1

  公开（公告）日：2008-04-10

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof, wherein L, R 1 , R 2 , m and n have the meaning given in claim 1 and which can be used in the form of pharmaceutical compositions.

  公式（I）的化合物，以及 pharmaceutically acceptable salts and esters thereof，其中 L, R1, R2, m 和 n 的含义如权利要求 1 所述，并且可以以药物组合物的形式使用。
• Rhodium(<scp>iii</scp>)-catalyzed sulfonamide directed <i>ortho</i> C–H carbenoid functionalization <i>via</i> metal carbene migratory insertion
  作者：Yi Dong、Jiajing Chen、Heng Xu

  DOI：10.1039/c8cc08837c

  日期：——

  A rhodium(III)-catalyzed sulfonamide directed ortho C–H carbenoid functionalization has been developed with good yields. This method is attractive due to its broad substrate scope, and enables derivation of diverse biologically active sulfonamide structures and late-stage modification of sulfa drugs.

  铑（III）催化的磺酰胺定向的邻位C-H类胡萝卜素官能化已经得到了良好的收率。该方法由于其广泛的底物范围而具有吸引力，并且能够衍生出多种生物活性的磺酰胺结构和磺胺药物的后期修饰。
• Diarylsulfonylureas for use in treating secretory diarrhea
  申请人：Eli Lilly and Company

  公开号：US06281240B1

  公开（公告）日：2001-08-28

  This invention provides methods of treating secretory diarrhea or cystic fibrosis in a mammal which comprises administering to a mammal in need thereof an effective amount of diarylsulfonylurea. This invention also describes specific diarylsulfonylureas for use in treating secretory diarrhea or cystic fibrosis.

  这项发明提供了治疗哺乳动物分泌性腹泻或囊性纤维化的方法，包括向需要的哺乳动物施用有效量的二芳基磺酰脲。该发明还描述了用于治疗分泌性腹泻或囊性纤维化的特定二芳基磺酰脲。
• [EN] ANTITUMOR BENZOYLSULFONAMIDES<br/>[FR] BENZOYLSULFONAMIDES ANTITUMORAUX
  申请人：LILLY CO ELI

  公开号：WO2004048329A1

  公开（公告）日：2004-06-10

  The present invention provides antitumor compounds of the formula (I); and antitumor methods.

  本发明提供了化合物(I)的抗肿瘤化合物；以及抗肿瘤方法。

表征谱图