5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid amide | 112894-45-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid amide
• 英文别名: 5,6,7,8-Tetrahydro-naphthalin-2-sulfonsaeure-amid；5,6,7,8-Tetrahydronaphthalene-2-sulfonamide
• CAS: 112894-45-8
• 化学式: C₁₀H₁₃NO₂S
• mdl: MFCD09739943
• 分子量: 211.285
• InChiKey: NDQUBPLFXGTFFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid amide 、 对氯苯异氰酸酯 生成 N-([(4-chlorophenyl)amino]carbonyl)-5,6,7,8-tetrahydro-2-naphthalenesulfonamide
  参考文献：
  名称：

  Anti-tumor method and compounds

  摘要：

  这项发明提供了某些磺酰胺衍生物、它们的制药配方以及它们在哺乳动物易感性肿瘤治疗中的应用。

  公开号：

  US05594028A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 作用下， 生成 5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid amide
  参考文献：
  名称：

  Schroeter, Justus Liebigs Annalen der Chemie, 1922, vol. 426, p. 132

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：CTXT PTY LTD

  公开号：WO2019243491A1

  公开（公告）日：2019-12-26

  A compound of formula (I), or a pharmaceutical salt thereof.

  式(I)的化合物，或其药用盐。
• [EN] TETRALINE SULFONAMIDE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS<br/>[FR] DÉRIVÉS DE SULFONAMIDE DE TÉTRALINE POUR L'UTILISATION DANS LE TRAITEMENT DE TROUBLES DE PROLIFÉRATION
  申请人：UNIV NOTRE DAME DE LA PAIX

  公开号：WO2012175654A1

  公开（公告）日：2012-12-27

  Tetraline sulfonamides derivatives highly specific towards CA IX and/or CA XII human carbonic anhydrase for targeting solid tumors.

  四环磺胺衍生物对人类碳酸酐酶CA IX和/或CA XII具有高度特异性，用于靶向固体肿瘤。
• Sulfonyl ureas with anti-tumour activity
  申请人：ELI LILLY AND COMPANY

  公开号：EP0222475A1

  公开（公告）日：1987-05-20

  This invention provides sulfonamide derivatives useful in the treatment of susceptible neoplasms in warm-blooded animals of formula (I): in which A is -O-, -CH2-, -CH2CH2-, or -CH2O-; D is -CH2- or -O-; R, is hydrogen or halo, and R2 is halo or trifluoromethyl. E.g., N-([(4-chlorophenyl)amino]carbonyl)-2,3-dihydro-1H-indene-5-sulfonamide, m.p. 169-172°C, is prepared by reacting 2,3-dihydro-5-indenylsulfonamide with 4-chlorophenylisocyanate.

  本发明提供了可用于治疗温血动物易感肿瘤的磺酰胺衍生物，其式为(I)：其中A为-O-、-CH2-、- -或- O-；D为- -或-O-；R为氢或卤代，R2为卤代或三氟甲基。 例如，N-([(4-氯苯基)氨基]羰基)-2,3-二氢-1H-茚-5-磺酰胺，m.p.169-172℃，是由2,3-二氢-5-茚基磺酰胺与4-氯苯基异氰酸酯反应制备的。
• Sulfonylureas and related compounds and use of same
  申请人：THE UNIVERSITY OF QUEENSLAND

  公开号：US11130731B2

  公开（公告）日：2021-09-28

  The present invention provides for certain sulfonyl ureas and related compounds which have advantageous properties and show useful activity in the inhibition of activation of the NLRP3 inflammasome. Such compounds are useful in the treatment of a wide range of disorders in which the inflammation process, or more specifically the NLRP3 inflammasome, have been implicated as being a key factor.

  本发明提供了某些磺酰脲类及相关化合物，它们在抑制 NLRP3 炎性体活化方面具有优势特性并显示出有用的活性。此类化合物可用于治疗多种疾病，在这些疾病中，炎症过程或更具体地说是 NLRP3 炎症体被认为是一个关键因素。
• Novel agents effective against solid tumors: the diarylsulfonylureas. Synthesis, activities, and analysis of quantitative structure-activity relationships
  作者：J. Jeffry Howbert、C. Sue Grossman、Thomas A. Crowell、Brent J. Rieder、Richard W. Harper、Kenneth E. Kramer、Eddie V. Tao、James Aikins、Gerald A. Poore

  DOI：10.1021/jm00171a013

  日期：1990.9

  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.